 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer02_STD_LCPBE_augccpVDZ.in
 Output=31_naproxen_conformer02_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/Gau-104479.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    104489.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Aug-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=42GB
 %chk=31_naproxen_conformer02_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=023000000
 0,3/108=0230000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=230000000,108=230000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Aug 16 21:28:41 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "31_naproxen_conformer02_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.615023000000      0.729781000000     -0.120185000000
  C                                                 1.174818000000     -0.568179000000     -0.283542000000
  C                                                -0.780302000000      0.906987000000     -0.261681000000
  C                                                -1.617220000000     -0.146278000000     -0.555082000000
  C                                                -1.047135000000     -1.433774000000     -0.715027000000
  C                                                 0.299785000000     -1.638621000000     -0.586238000000
  C                                                 1.486810000000      1.806637000000      0.177553000000
  H                                                -1.178331000000      1.906903000000     -0.143779000000
  H                                                -1.698736000000     -2.268417000000     -0.944366000000
  H                                                 0.712660000000     -2.631458000000     -0.716974000000
  C                                                -3.119636000000     -0.001144000000     -0.656452000000
  C                                                -3.609136000000      1.393587000000     -1.071585000000
  C                                                -3.848641000000     -0.385756000000      0.641287000000
  H                                                -3.484147000000     -0.716442000000     -1.395606000000
  H                                                -3.143214000000      1.693230000000     -2.010455000000
  H                                                -3.376132000000      2.146319000000     -0.317339000000
  H                                                -4.689812000000      1.377587000000     -1.202459000000
  O                                                -4.992051000000     -0.744475000000      0.660385000000
  O                                                -3.149570000000     -0.248062000000      1.788254000000
  H                                                -2.231771000000     -0.009601000000      1.581011000000
  C                                                 2.830377000000      1.609633000000      0.308486000000
  C                                                 3.384420000000      0.315464000000      0.146592000000
  C                                                 2.571198000000     -0.754342000000     -0.144922000000
  O                                                 4.730828000000      0.251048000000      0.301729000000
  C                                                 5.361258000000     -1.010989000000      0.156412000000
  H                                                 1.070645000000      2.798805000000      0.302176000000
  H                                                 3.502511000000      2.425784000000      0.536445000000
  H                                                 2.973183000000     -1.748599000000     -0.273266000000
  H                                                 6.421812000000     -0.837666000000      0.319337000000
  H                                                 5.207672000000     -1.416612000000     -0.847613000000
  H                                                 4.990297000000     -1.725949000000      0.896247000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1          16          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146   1.0078250
 NucSpn=           0           0           0           1           1           1           1           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          16          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Aug 16 21:28:42 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.615023    0.729781   -0.120185
      2          6           0        1.174818   -0.568179   -0.283542
      3          6           0       -0.780302    0.906987   -0.261681
      4          6           0       -1.617220   -0.146278   -0.555082
      5          6           0       -1.047135   -1.433774   -0.715027
      6          6           0        0.299785   -1.638621   -0.586238
      7          6           0        1.486810    1.806637    0.177553
      8          1           0       -1.178331    1.906903   -0.143779
      9          1           0       -1.698736   -2.268417   -0.944366
     10          1           0        0.712660   -2.631458   -0.716974
     11          6           0       -3.119636   -0.001144   -0.656452
     12          6           0       -3.609136    1.393587   -1.071585
     13          6           0       -3.848641   -0.385756    0.641287
     14          1           0       -3.484147   -0.716442   -1.395606
     15          1           0       -3.143214    1.693230   -2.010455
     16          1           0       -3.376132    2.146319   -0.317339
     17          1           0       -4.689812    1.377587   -1.202459
     18          8           0       -4.992051   -0.744475    0.660385
     19          8           0       -3.149570   -0.248062    1.788254
     20          1           0       -2.231771   -0.009601    1.581011
     21          6           0        2.830377    1.609633    0.308486
     22          6           0        3.384420    0.315464    0.146592
     23          6           0        2.571198   -0.754342   -0.144922
     24          8           0        4.730828    0.251048    0.301729
     25          6           0        5.361258   -1.010989    0.156412
     26          1           0        1.070645    2.798805    0.302176
     27          1           0        3.502511    2.425784    0.536445
     28          1           0        2.973183   -1.748599   -0.273266
     29          1           0        6.421812   -0.837666    0.319337
     30          1           0        5.207672   -1.416612   -0.847613
     31          1           0        4.990297   -1.725949    0.896247
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.422939   0.000000
     3  C    1.413632   2.449303   0.000000
     4  C    2.437114   2.836761   1.376911   0.000000
     5  C    2.792414   2.423326   2.399142   1.417119   0.000000
     6  C    2.434319   1.415328   2.784249   2.429602   1.368482
     7  C    1.417138   2.439200   2.478325   3.739737   4.209256
     8  H    2.145295   3.418022   1.082663   2.139473   3.391705
     9  H    3.875816   3.403647   3.375318   2.159088   1.083425
    10  H    3.415204   2.158373   3.867405   3.410377   2.128692
    11  C    3.843112   4.347750   2.540281   1.512810   2.520143
    12  C    4.380562   5.230273   2.982453   2.570153   3.832095
    13  C    4.663535   5.111138   3.449817   2.543204   3.284260
    14  H    4.530061   4.792142   3.351430   2.125320   2.629977
    15  H    4.315750   5.171228   3.042982   2.798313   3.981185
    16  H    4.239666   5.299131   2.877043   2.899361   4.289458
    17  H    5.452728   6.246943   4.048555   3.490284   4.627141
    18  O    5.849957   6.241182   4.616965   3.636576   4.234295
    19  O    4.332491   4.805741   3.339132   2.801728   3.477436
    20  H    3.397792   3.923444   2.518414   2.226937   2.950156
    21  C    2.421919   2.798971   3.722339   4.859022   5.034382
    22  C    2.812897   2.418301   4.226286   5.071682   4.841580
    23  C    2.455576   1.415539   3.742486   4.252155   3.725450
    24  O    4.164979   3.695792   5.578552   6.417921   6.103874
    25  C    5.062957   4.232720   6.447650   7.067751   6.481177
    26  H    2.160287   3.419137   2.706088   4.078360   4.840911
    27  H    3.412503   3.879993   4.613701   5.832545   6.096036
    28  H    3.424430   2.151189   4.597926   4.870180   4.056750
    29  H    6.030661   5.288387   7.433158   8.115951   7.563757
    30  H    5.121385   4.159558   6.449671   6.948271   6.256236
    31  H    5.119254   4.158150   6.447710   6.947014   6.255570
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.723199   0.000000
     8  H    3.866696   2.686314   0.000000
     9  H    2.125790   5.292681   4.283113   0.000000
    10  H    1.083182   4.593057   4.949861   2.449150   0.000000
    11  C    3.791926   5.018265   2.769863   2.691167   4.648517
    12  C    4.970866   5.263043   2.652005   4.132322   5.916473
    13  C    4.503990   5.786940   3.605991   3.268149   5.262463
    14  H    3.977893   5.792337   3.710229   2.408306   4.662726
    15  H    4.998386   5.122242   2.718621   4.349449   5.936648
    16  H    5.283034   4.899848   2.217605   4.764107   6.301197
    17  H    5.862876   6.343436   3.705601   4.722975   6.744986
    18  O    5.509727   6.979752   4.713910   3.967814   6.164540
    19  O    4.412473   5.320918   3.501772   3.695127   5.183972
    20  H    3.709373   4.369927   2.785251   3.429855   4.563392
    21  C    4.213737   1.364231   4.045078   6.092764   4.850067
    22  C    3.724307   2.413603   4.841042   5.805610   4.070430
    23  C    2.477100   2.799732   4.597955   4.600421   2.702771
    24  O    4.898314   3.599851   6.152926   7.017104   5.048987
    25  C    5.154024   4.790700   7.167317   7.255091   4.999819
    26  H    4.590670   1.083107   2.460134   5.907629   5.536657
    27  H    5.295022   2.138971   4.758385   7.161096   5.910163
    28  H    2.693901   3.879722   5.533040   4.748412   2.467039
    29  H    6.240257   5.600597   8.093782   8.341900   6.073388
    30  H    4.919854   5.028431   7.233406   6.959411   4.658117
    31  H    4.919989   5.026938   7.234033   6.958828   4.660537
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.535324   0.000000
    13  C    1.537368   2.481402   0.000000
    14  H    1.091269   2.138419   2.095505   0.000000
    15  H    2.169051   1.090113   3.442607   2.510138   0.000000
    16  H    2.189152   1.090772   2.748387   3.061001   1.768101
    17  H    2.159740   1.088689   2.686326   2.424024   1.773261
    18  O    2.406769   3.079526   1.198512   2.549835   4.061279
    19  O    2.457326   3.329398   1.350257   3.235473   4.266010
    20  H    2.407201   3.301869   1.907575   3.305801   4.077866
    21  C    6.239260   6.589279   6.978654   6.941741   6.408453
    22  C    6.561087   7.180260   7.283791   7.114803   7.011497
    23  C    5.763208   6.608240   6.478296   6.183272   6.490403
    24  O    7.912743   8.529149   8.609768   8.444098   8.332264
    25  C    8.579400   9.367920   9.243823   8.985361   9.183363
    26  H    5.130023   5.075648   5.869906   5.998796   4.932258
    27  H    7.153028   7.363879   7.871162   7.900620   7.154649
    28  H    6.350029   7.337409   7.016483   6.634916   7.230099
    29  H    9.627625  10.369815  10.285430  10.054041  10.164796
    30  H    8.448914   9.256537   9.235599   8.737176   8.986691
    31  H    8.435451   9.357036   8.943598   8.836736   9.289440
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.760722   0.000000
    18  O    3.453090   2.839839   0.000000
    19  O    3.196547   3.736234   2.216585   0.000000
    20  H    3.092133   3.964084   3.001123   0.970654   0.000000
    21  C    6.261026   7.673985   8.176554   6.434323   5.465033
    22  C    7.019425   8.254772   8.458884   6.760595   5.805586
    23  C    6.619237   7.641058   7.606008   6.059759   5.157712
    24  O    8.348539   9.606255   9.780290   8.034895   7.083946
    25  C    9.302420  10.419973  10.368993   8.699377   7.790144
    26  H    4.536889   6.121001   7.031318   5.413136   4.519791
    27  H    6.937058   8.440181   9.067717   7.277820   6.316978
    28  H    7.448901   8.328141   8.082383   6.632464   5.792582
    29  H   10.262029  11.432034  11.419337   9.701376   8.784191
    30  H    9.308993  10.290464  10.332482   8.840633   7.951302
    31  H    9.298623  10.379837  10.033254   8.320893   7.454731
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.417056   0.000000
    23  C    2.420977   1.375062   0.000000
    24  O    2.336132   1.356846   2.423697   0.000000
    25  C    3.646388   2.380643   2.817997   1.418202   0.000000
    26  H    2.123871   3.397756   3.882835   4.459597   5.739785
    27  H    1.081588   2.149275   3.383017   2.508651   3.925656
    28  H    3.411239   2.146102   1.080098   2.723697   2.536059
    29  H    4.346009   3.253506   3.879395   2.011227   1.086904
    30  H    4.018240   2.704215   2.807734   2.080735   1.093702
    31  H    4.017067   2.703367   2.807150   2.080695   1.093680
                   26         27         28         29         30
    26  H    0.000000
    27  H    2.471437   0.000000
    28  H    4.962829   4.285008   0.000000
    29  H    6.469869   4.384012   3.615801   0.000000
    30  H    6.017204   4.425743   2.330886   1.780755   0.000000
    31  H    6.015812   4.424913   2.331742   1.780760   1.784374
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.80D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.615023    0.729781   -0.120185
      2          6           0        1.174818   -0.568179   -0.283542
      3          6           0       -0.780302    0.906987   -0.261681
      4          6           0       -1.617220   -0.146278   -0.555082
      5          6           0       -1.047135   -1.433774   -0.715027
      6          6           0        0.299785   -1.638621   -0.586238
      7          6           0        1.486810    1.806637    0.177553
      8          1           0       -1.178331    1.906903   -0.143779
      9          1           0       -1.698736   -2.268417   -0.944366
     10          1           0        0.712660   -2.631458   -0.716974
     11          6           0       -3.119636   -0.001144   -0.656452
     12          6           0       -3.609136    1.393587   -1.071585
     13          6           0       -3.848641   -0.385756    0.641287
     14          1           0       -3.484147   -0.716442   -1.395606
     15          1           0       -3.143214    1.693230   -2.010455
     16          1           0       -3.376132    2.146319   -0.317339
     17          1           0       -4.689812    1.377587   -1.202459
     18          8           0       -4.992051   -0.744475    0.660385
     19          8           0       -3.149570   -0.248062    1.788254
     20          1           0       -2.231771   -0.009601    1.581011
     21          6           0        2.830377    1.609633    0.308486
     22          6           0        3.384420    0.315464    0.146592
     23          6           0        2.571198   -0.754342   -0.144922
     24          8           0        4.730828    0.251048    0.301729
     25          6           0        5.361258   -1.010989    0.156412
     26          1           0        1.070645    2.798805    0.302176
     27          1           0        3.502511    2.425784    0.536445
     28          1           0        2.973183   -1.748599   -0.273266
     29          1           0        6.421812   -0.837666    0.319337
     30          1           0        5.207672   -1.416612   -0.847613
     31          1           0        4.990297   -1.725949    0.896247
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3776815           0.2086420           0.1975031
 Leave Link  202 at Mon Aug 16 21:28:42 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     14     15     16     17     20     26     27
 Centers:      28     29     30     31
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     13
 Centers:      21     22     23     25
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      18     19     24
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  51 primitive shells out of 588 were deleted.
 There are   551 symmetry adapted cartesian basis functions of A   symmetry.
 There are   517 symmetry adapted basis functions of A   symmetry.
   517 basis functions,   967 primitive gaussians,   551 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1136.4081582636 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.230000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.230000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Aug 16 21:28:43 2021, MaxMem=  5637144576 cpu:              11.2 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   517 RedAO= T EigKep=  1.49D-06  NBF=   517
 NBsUse=   513 1.00D-06 EigRej=  9.42D-07 NBFU=   513
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   551   551   551   551   551 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Mon Aug 16 21:28:44 2021, MaxMem=  5637144576 cpu:               6.1 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Aug 16 21:28:45 2021, MaxMem=  5637144576 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer02_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Aug 16 21:28:46 2021, MaxMem=  5637144576 cpu:               7.0 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636527787 LenY=  5636223635
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -765.487765089355    
 DIIS: error= 2.32D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -765.487765089355     IErMin= 1 ErrMin= 2.32D-03
 ErrMax= 2.32D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.75D-02 BMatP= 1.75D-02
 IDIUse=3 WtCom= 9.77D-01 WtEn= 2.32D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.291 Goal=   None    Shift=    0.000
 GapD=    0.291 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.66D-02 MaxDP=6.86D+00              OVMax= 1.78D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.65D-02    CP:  1.54D+00
 E= -765.501508834942     Delta-E=       -0.013743745587 Rises=F Damp=F
 DIIS: error= 1.34D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -765.501508834942     IErMin= 2 ErrMin= 1.34D-03
 ErrMax= 1.34D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.90D-03 BMatP= 1.75D-02
 IDIUse=3 WtCom= 9.87D-01 WtEn= 1.34D-02
 Coeff-Com:  0.224D+00 0.776D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.221D+00 0.779D+00
 Gap=     0.295 Goal=   None    Shift=    0.000
 RMSDP=7.23D-03 MaxDP=8.54D-01 DE=-1.37D-02 OVMax= 1.37D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.56D-03    CP:  1.61D+00  1.12D+00
 E= -765.502178323095     Delta-E=       -0.000669488154 Rises=F Damp=F
 DIIS: error= 1.13D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -765.502178323095     IErMin= 3 ErrMin= 1.13D-03
 ErrMax= 1.13D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.02D-03 BMatP= 3.90D-03
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.13D-02
 Coeff-Com: -0.236D-01 0.471D+00 0.552D+00
 Coeff-En:   0.000D+00 0.437D+00 0.563D+00
 Coeff:     -0.233D-01 0.471D+00 0.552D+00
 Gap=     0.293 Goal=   None    Shift=    0.000
 RMSDP=2.82D-03 MaxDP=3.26D-01 DE=-6.69D-04 OVMax= 7.94D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  5.27D-04    CP:  1.64D+00  1.17D+00  1.27D+00
 E= -765.504293132424     Delta-E=       -0.002114809329 Rises=F Damp=F
 DIIS: error= 1.39D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -765.504293132424     IErMin= 4 ErrMin= 1.39D-04
 ErrMax= 1.39D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.62D-05 BMatP= 3.02D-03
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.39D-03
 Coeff-Com: -0.141D-01 0.155D+00 0.220D+00 0.640D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.141D-01 0.155D+00 0.219D+00 0.640D+00
 Gap=     0.293 Goal=   None    Shift=    0.000
 RMSDP=4.08D-04 MaxDP=4.69D-02 DE=-2.11D-03 OVMax= 2.71D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.04D-04    CP:  1.64D+00  1.17D+00  1.34D+00  1.04D+00
 E= -765.504324223399     Delta-E=       -0.000031090975 Rises=F Damp=F
 DIIS: error= 8.72D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -765.504324223399     IErMin= 5 ErrMin= 8.72D-05
 ErrMax= 8.72D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.42D-05 BMatP= 4.62D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.252D-02-0.193D-01 0.396D-02 0.374D+00 0.644D+00
 Coeff:     -0.252D-02-0.193D-01 0.396D-02 0.374D+00 0.644D+00
 Gap=     0.293 Goal=   None    Shift=    0.000
 RMSDP=2.03D-04 MaxDP=2.30D-02 DE=-3.11D-05 OVMax= 9.28D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.38D-05    CP:  1.64D+00  1.18D+00  1.38D+00  1.10D+00  1.29D+00
 E= -765.504335614267     Delta-E=       -0.000011390868 Rises=F Damp=F
 DIIS: error= 1.60D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -765.504335614267     IErMin= 6 ErrMin= 1.60D-05
 ErrMax= 1.60D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.85D-07 BMatP= 1.42D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.139D-03-0.219D-01-0.171D-01 0.108D+00 0.276D+00 0.655D+00
 Coeff:      0.139D-03-0.219D-01-0.171D-01 0.108D+00 0.276D+00 0.655D+00
 Gap=     0.293 Goal=   None    Shift=    0.000
 RMSDP=2.85D-05 MaxDP=1.75D-03 DE=-1.14D-05 OVMax= 3.22D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.36D-05    CP:  1.64D+00  1.18D+00  1.39D+00  1.12D+00  1.31D+00
                    CP:  1.28D+00
 E= -765.504336472380     Delta-E=       -0.000000858113 Rises=F Damp=F
 DIIS: error= 7.70D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -765.504336472380     IErMin= 7 ErrMin= 7.70D-06
 ErrMax= 7.70D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.03D-07 BMatP= 7.85D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.468D-03-0.632D-02-0.764D-02-0.101D-01 0.164D-01 0.268D+00
 Coeff-Com:  0.740D+00
 Coeff:      0.468D-03-0.632D-02-0.764D-02-0.101D-01 0.164D-01 0.268D+00
 Coeff:      0.740D+00
 Gap=     0.293 Goal=   None    Shift=    0.000
 RMSDP=1.17D-05 MaxDP=1.02D-03 DE=-8.58D-07 OVMax= 1.43D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  5.89D-06    CP:  1.64D+00  1.18D+00  1.39D+00  1.12D+00  1.36D+00
                    CP:  1.34D+00  1.18D+00
 E= -765.504336625093     Delta-E=       -0.000000152713 Rises=F Damp=F
 DIIS: error= 3.15D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -765.504336625093     IErMin= 8 ErrMin= 3.15D-06
 ErrMax= 3.15D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.45D-08 BMatP= 1.03D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.153D-03 0.332D-03-0.719D-03-0.174D-01-0.295D-01 0.279D-01
 Coeff-Com:  0.293D+00 0.726D+00
 Coeff:      0.153D-03 0.332D-03-0.719D-03-0.174D-01-0.295D-01 0.279D-01
 Coeff:      0.293D+00 0.726D+00
 Gap=     0.293 Goal=   None    Shift=    0.000
 RMSDP=5.73D-06 MaxDP=5.61D-04 DE=-1.53D-07 OVMax= 7.81D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.11D-06    CP:  1.64D+00  1.18D+00  1.39D+00  1.12D+00  1.37D+00
                    CP:  1.37D+00  1.24D+00  1.09D+00
 E= -765.504336651269     Delta-E=       -0.000000026176 Rises=F Damp=F
 DIIS: error= 1.51D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -765.504336651269     IErMin= 9 ErrMin= 1.51D-06
 ErrMax= 1.51D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.98D-09 BMatP= 1.45D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.341D-04 0.138D-02 0.127D-02-0.470D-02-0.154D-01-0.445D-01
 Coeff-Com: -0.458D-01 0.305D+00 0.803D+00
 Coeff:     -0.341D-04 0.138D-02 0.127D-02-0.470D-02-0.154D-01-0.445D-01
 Coeff:     -0.458D-01 0.305D+00 0.803D+00
 Gap=     0.293 Goal=   None    Shift=    0.000
 RMSDP=2.07D-06 MaxDP=2.07D-04 DE=-2.62D-08 OVMax= 4.16D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  9.08D-07    CP:  1.64D+00  1.18D+00  1.39D+00  1.12D+00  1.37D+00
                    CP:  1.38D+00  1.25D+00  1.12D+00  1.07D+00
 E= -765.504336657767     Delta-E=       -0.000000006498 Rises=F Damp=F
 DIIS: error= 4.65D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -765.504336657767     IErMin=10 ErrMin= 4.65D-07
 ErrMax= 4.65D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.38D-10 BMatP= 2.98D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.358D-04 0.532D-03 0.619D-03 0.220D-03-0.255D-02-0.213D-01
 Coeff-Com: -0.542D-01 0.331D-01 0.304D+00 0.740D+00
 Coeff:     -0.358D-04 0.532D-03 0.619D-03 0.220D-03-0.255D-02-0.213D-01
 Coeff:     -0.542D-01 0.331D-01 0.304D+00 0.740D+00
 Gap=     0.293 Goal=   None    Shift=    0.000
 RMSDP=5.35D-07 MaxDP=3.27D-05 DE=-6.50D-09 OVMax= 1.41D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.59D-07    CP:  1.64D+00  1.18D+00  1.39D+00  1.12D+00  1.37D+00
                    CP:  1.38D+00  1.25D+00  1.13D+00  1.10D+00  1.14D+00
 E= -765.504336658383     Delta-E=       -0.000000000615 Rises=F Damp=F
 DIIS: error= 1.89D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -765.504336658383     IErMin=11 ErrMin= 1.89D-07
 ErrMax= 1.89D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.02D-11 BMatP= 3.38D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.766D-05-0.678D-04-0.836D-05 0.116D-02 0.242D-02 0.285D-03
 Coeff-Com: -0.142D-01-0.511D-01-0.399D-01 0.320D+00 0.781D+00
 Coeff:     -0.766D-05-0.678D-04-0.836D-05 0.116D-02 0.242D-02 0.285D-03
 Coeff:     -0.142D-01-0.511D-01-0.399D-01 0.320D+00 0.781D+00
 Gap=     0.293 Goal=   None    Shift=    0.000
 RMSDP=4.62D-07 MaxDP=4.44D-05 DE=-6.15D-10 OVMax= 5.99D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.62D-07    CP:  1.64D+00  1.18D+00  1.39D+00  1.12D+00  1.37D+00
                    CP:  1.37D+00  1.24D+00  1.12D+00  1.10D+00  1.20D+00
                    CP:  1.11D+00
 E= -765.504336658526     Delta-E=       -0.000000000144 Rises=F Damp=F
 DIIS: error= 5.77D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -765.504336658526     IErMin=12 ErrMin= 5.77D-08
 ErrMax= 5.77D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.25D-12 BMatP= 7.02D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.124D-05-0.795D-04-0.699D-04 0.374D-03 0.114D-02 0.227D-02
 Coeff-Com:  0.799D-03-0.200D-01-0.442D-01 0.309D-01 0.270D+00 0.759D+00
 Coeff:      0.124D-05-0.795D-04-0.699D-04 0.374D-03 0.114D-02 0.227D-02
 Coeff:      0.799D-03-0.200D-01-0.442D-01 0.309D-01 0.270D+00 0.759D+00
 Gap=     0.293 Goal=   None    Shift=    0.000
 RMSDP=1.45D-07 MaxDP=1.19D-05 DE=-1.44D-10 OVMax= 2.06D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  5.96D-08    CP:  1.64D+00  1.18D+00  1.39D+00  1.12D+00  1.37D+00
                    CP:  1.37D+00  1.24D+00  1.12D+00  1.09D+00  1.21D+00
                    CP:  1.15D+00  9.81D-01
 E= -765.504336658477     Delta-E=        0.000000000049 Rises=F Damp=F
 DIIS: error= 3.15D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -765.504336658526     IErMin=13 ErrMin= 3.15D-08
 ErrMax= 3.15D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-12 BMatP= 6.25D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.160D-05-0.215D-04-0.269D-04-0.300D-04 0.982D-04 0.832D-03
 Coeff-Com:  0.234D-02-0.104D-03-0.117D-01-0.340D-01-0.115D-01 0.306D+00
 Coeff-Com:  0.748D+00
 Coeff:      0.160D-05-0.215D-04-0.269D-04-0.300D-04 0.982D-04 0.832D-03
 Coeff:      0.234D-02-0.104D-03-0.117D-01-0.340D-01-0.115D-01 0.306D+00
 Coeff:      0.748D+00
 Gap=     0.293 Goal=   None    Shift=    0.000
 RMSDP=3.50D-08 MaxDP=1.86D-06 DE= 4.89D-11 OVMax= 7.98D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  2.05D-08    CP:  1.64D+00  1.18D+00  1.39D+00  1.12D+00  1.37D+00
                    CP:  1.37D+00  1.24D+00  1.12D+00  1.08D+00  1.20D+00
                    CP:  1.16D+00  1.06D+00  9.57D-01
 E= -765.504336658716     Delta-E=       -0.000000000239 Rises=F Damp=F
 DIIS: error= 1.09D-08 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -765.504336658716     IErMin=14 ErrMin= 1.09D-08
 ErrMax= 1.09D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-13 BMatP= 1.14D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.257D-06 0.559D-05 0.295D-05-0.633D-04-0.135D-03-0.102D-03
 Coeff-Com:  0.492D-03 0.289D-02 0.286D-02-0.138D-01-0.437D-01-0.261D-01
 Coeff-Com:  0.203D+00 0.875D+00
 Coeff:      0.257D-06 0.559D-05 0.295D-05-0.633D-04-0.135D-03-0.102D-03
 Coeff:      0.492D-03 0.289D-02 0.286D-02-0.138D-01-0.437D-01-0.261D-01
 Coeff:      0.203D+00 0.875D+00
 Gap=     0.293 Goal=   None    Shift=    0.000
 RMSDP=1.53D-08 MaxDP=1.54D-06 DE=-2.39D-10 OVMax= 5.00D-07

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  7.90D-09    CP:  1.64D+00  1.18D+00  1.39D+00  1.12D+00  1.37D+00
                    CP:  1.37D+00  1.24D+00  1.12D+00  1.08D+00  1.20D+00
                    CP:  1.17D+00  1.08D+00  1.02D+00  9.98D-01
 E= -765.504336658667     Delta-E=        0.000000000050 Rises=F Damp=F
 DIIS: error= 4.26D-09 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=14 EnMin= -765.504336658716     IErMin=15 ErrMin= 4.26D-09
 ErrMax= 4.26D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.76D-14 BMatP= 1.12D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.122D-06 0.414D-05 0.421D-05-0.130D-04-0.482D-04-0.125D-03
 Coeff-Com: -0.162D-03 0.752D-03 0.207D-02 0.972D-03-0.952D-02-0.488D-01
 Coeff-Com: -0.451D-01 0.225D+00 0.875D+00
 Coeff:     -0.122D-06 0.414D-05 0.421D-05-0.130D-04-0.482D-04-0.125D-03
 Coeff:     -0.162D-03 0.752D-03 0.207D-02 0.972D-03-0.952D-02-0.488D-01
 Coeff:     -0.451D-01 0.225D+00 0.875D+00
 Gap=     0.293 Goal=   None    Shift=    0.000
 RMSDP=7.66D-09 MaxDP=9.30D-07 DE= 4.96D-11 OVMax= 2.01D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -765.504336659     A.U. after   15 cycles
            NFock= 15  Conv=0.77D-08     -V/T= 2.0045
 KE= 7.620945539483D+02 PE=-4.058890275472D+03 EE= 1.394883226602D+03
 Leave Link  502 at Mon Aug 16 21:42:20 2021, MaxMem=  5637144576 cpu:            6496.6 elap:             814.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   513
 NBasis=   517 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    513 NOA=    61 NOB=    61 NVA=   452 NVB=   452

 **** Warning!!: The largest alpha MO coefficient is  0.10879222D+03

 Leave Link  801 at Mon Aug 16 21:42:20 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9624 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.60D-13 8.33D-09 XBig12= 1.00D+00 4.86D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.60D-13 8.33D-09 XBig12= 2.69D-01 1.10D-01.
     11 vectors produced by pass  2 Test12= 4.60D-13 8.33D-09 XBig12= 8.49D-02 1.15D-01.
     11 vectors produced by pass  3 Test12= 4.60D-13 8.33D-09 XBig12= 1.11D-02 3.91D-02.
     11 vectors produced by pass  4 Test12= 4.60D-13 8.33D-09 XBig12= 3.02D-03 1.79D-02.
     11 vectors produced by pass  5 Test12= 4.60D-13 8.33D-09 XBig12= 5.15D-04 6.57D-03.
     11 vectors produced by pass  6 Test12= 4.60D-13 8.33D-09 XBig12= 3.67D-05 1.74D-03.
     11 vectors produced by pass  7 Test12= 4.60D-13 8.33D-09 XBig12= 1.96D-06 2.36D-04.
     11 vectors produced by pass  8 Test12= 4.60D-13 8.33D-09 XBig12= 9.88D-08 3.47D-05.
     11 vectors produced by pass  9 Test12= 4.60D-13 8.33D-09 XBig12= 3.64D-09 6.70D-06.
     11 vectors produced by pass 10 Test12= 4.60D-13 8.33D-09 XBig12= 1.33D-10 1.14D-06.
     11 vectors produced by pass 11 Test12= 4.60D-13 8.33D-09 XBig12= 5.59D-12 2.46D-07.
      8 vectors produced by pass 12 Test12= 4.60D-13 8.33D-09 XBig12= 2.54D-13 4.38D-08.
      2 vectors produced by pass 13 Test12= 4.60D-13 8.33D-09 XBig12= 4.94D-14 1.20D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 9.95D-14
 Solved reduced A of dimension   142 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.310304D+03
      2  0.801298D+01  0.178922D+03
      3  0.156234D+02  0.851365D+01  0.123898D+03
 Isotropic polarizability for W=    0.088559      204.37 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.290746D+03 -0.590445D+02  0.692163D+02
      2  -0.123294D+03  0.589366D+02 -0.198131D+02
      3  -0.167453D+03  0.107857D+00 -0.494033D+02
      4  -0.570905D+02  0.127808D+03  0.521550D+02
      5   0.251623D+01  0.557481D+02 -0.432346D+02
      6   0.211532D+02 -0.538216D+02 -0.317313D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.203534D+01 -0.303028D+02 -0.489182D+00
      2   0.677976D+02  0.207706D+02 -0.180679D+02
      3   0.466256D+02 -0.581613D+02 -0.175968D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.359313D+01 -0.340085D+02  0.328099D+01
      2   0.667001D+02  0.310019D+02  0.124218D+03
      3   0.195405D+01 -0.251102D+03 -0.345950D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.248515D+01 -0.528726D+01 -0.108797D+02
      2  -0.528726D+01 -0.302721D-01  0.319685D+01
      3  -0.108797D+02  0.319685D+01  0.275420D+01
 OR G Eigenvalues:    -8.5918    -1.9821    15.7829  Iso=    -1.7364
 Eigenvectors:
   (1)   0.734507   0.213022   0.644299
   (2)   0.091155   0.909874  -0.404746
   (3)   0.672451  -0.356020  -0.648890
 w=    0.088559 a.u., Optical Rotation Beta=     -1.7364 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =     -382.38 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  133903 ScalPx= 3.09D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.75D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.66D-14 2.78D-09 XBig12= 1.00D+00 4.54D-01.
     30 vectors produced by pass  1 Test12= 7.66D-14 2.78D-09 XBig12= 8.10D-02 6.88D-02.
     30 vectors produced by pass  2 Test12= 7.66D-14 2.78D-09 XBig12= 8.94D-03 1.95D-02.
     30 vectors produced by pass  3 Test12= 7.66D-14 2.78D-09 XBig12= 1.34D-04 1.86D-03.
     30 vectors produced by pass  4 Test12= 7.66D-14 2.78D-09 XBig12= 6.15D-06 3.14D-04.
     30 vectors produced by pass  5 Test12= 7.66D-14 2.78D-09 XBig12= 1.63D-07 4.49D-05.
     30 vectors produced by pass  6 Test12= 7.66D-14 2.78D-09 XBig12= 2.90D-09 7.12D-06.
     30 vectors produced by pass  7 Test12= 7.66D-14 2.78D-09 XBig12= 4.48D-11 8.29D-07.
     30 vectors produced by pass  8 Test12= 7.66D-14 2.78D-09 XBig12= 6.09D-13 8.35D-08.
     15 vectors produced by pass  9 Test12= 7.66D-14 2.78D-09 XBig12= 3.40D-14 1.95D-08.
      3 vectors produced by pass 10 Test12= 7.66D-14 2.78D-09 XBig12= 1.26D-14 6.72D-09.
      1 vectors produced by pass 11 Test12= 7.66D-14 2.78D-09 XBig12= 4.25D-15 3.67D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   289 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 1.97D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 1.97D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.08D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.310304D+03  0.801298D+01  0.156234D+02
      2   0.801298D+01  0.178922D+03  0.851365D+01
      3   0.156234D+02  0.851365D+01  0.123898D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.203534D+01 -0.303028D+02 -0.489182D+00
      2   0.677976D+02  0.207706D+02 -0.180679D+02
      3   0.466256D+02 -0.581613D+02 -0.175968D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.290746D+03 -0.590445D+02  0.692163D+02
      2  -0.123294D+03  0.589366D+02 -0.198131D+02
      3  -0.167453D+03  0.107857D+00 -0.494033D+02
      4  -0.570905D+02  0.127808D+03  0.521550D+02
      5   0.251623D+01  0.557481D+02 -0.432346D+02
      6   0.211532D+02 -0.538216D+02 -0.317313D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.373488D+02 -0.356734D+01 -0.319371D+01  0.428024D+02  0.879701D+01
      2  -0.356734D+01 -0.981681D+00 -0.935910D+00  0.879701D+01  0.933050D+01
      3  -0.319371D+01 -0.935910D+00 -0.148326D+00  0.586807D+01  0.237731D+01
                 6             7             8             9            10 
      1   0.586807D+01  0.406376D+01  0.117668D+01 -0.418723D+00  0.417434D+02
      2   0.237731D+01  0.117668D+01  0.109764D+01  0.160468D+01  0.450676D+01
      3   0.372196D+00 -0.418723D+00  0.160468D+01  0.408339D+00  0.381249D+01
                11            12            13            14            15 
      1   0.450676D+01  0.381249D+01 -0.430445D+02 -0.810905D+01 -0.596966D+01
      2   0.437003D+01  0.107193D+01 -0.810905D+01 -0.791850D+01 -0.247265D+01
      3   0.107193D+01 -0.728685D-01 -0.596966D+01 -0.247265D+01 -0.439145D+00
                16            17            18            19            20 
      1  -0.250239D+01 -0.895852D+00  0.723908D+00  0.400734D+02  0.548461D+01
      2  -0.895852D+00 -0.363954D+00 -0.146317D+01  0.548461D+01  0.386370D+01
      3   0.723908D+00 -0.146317D+01 -0.423955D+00  0.303988D+01  0.911565D+00
                21            22            23            24            25 
      1   0.303988D+01  0.226010D+02  0.239958D+01  0.510656D+00  0.964921D+01
      2   0.911565D+00  0.239958D+01  0.389059D+01  0.192497D+00  0.258454D+00
      3   0.419189D+00  0.510656D+00  0.192497D+00  0.204666D+01 -0.112836D+01
                26            27            28            29            30 
      1   0.258454D+00 -0.112836D+01 -0.514757D+02 -0.475288D+01 -0.601540D+00
      2  -0.119143D+00  0.330050D+01 -0.475288D+01 -0.285600D+01 -0.340376D+00
      3   0.330050D+01  0.998825D+00 -0.601540D+00 -0.340376D+00 -0.206180D+01
                31            32            33            34            35 
      1  -0.120233D+02 -0.107512D+01  0.416711D+00 -0.542151D+01  0.358475D+00
      2  -0.107512D+01 -0.781633D+01 -0.218259D+01  0.358475D+00 -0.215836D+01
      3   0.416711D+00 -0.218259D+01 -0.557214D+00 -0.595168D+01 -0.113594D+01
                36            37            38            39            40 
      1  -0.595168D+01 -0.604294D+01 -0.437033D+00 -0.553282D+00 -0.818970D+01
      2  -0.113594D+01 -0.437033D+00 -0.878947D+01 -0.153916D+01 -0.151418D+01
      3  -0.156586D+01 -0.553282D+00 -0.153916D+01 -0.223727D+01  0.733294D+00
                41            42            43            44            45 
      1  -0.151418D+01  0.733294D+00 -0.165256D+01  0.113760D+01 -0.400743D+01
      2   0.257610D+01  0.136142D+01  0.113760D+01  0.183366D+00 -0.253602D+01
      3   0.136142D+01 -0.578257D+00 -0.400743D+01 -0.253602D+01 -0.294626D+01
                46            47            48            49            50 
      1   0.988742D+01  0.190852D+01  0.182826D+01 -0.123318D+01 -0.150363D+01
      2   0.190852D+01  0.614425D+01  0.228976D+01 -0.150363D+01 -0.229594D+00
      3   0.182826D+01  0.228976D+01  0.262084D+01 -0.304536D+00  0.855057D+00
                51            52            53            54            55 
      1  -0.304536D+00  0.792691D+00  0.293440D+00  0.145051D+01 -0.115899D+02
      2   0.855057D+00  0.293440D+00  0.213758D+01 -0.335773D+01 -0.406133D+01
      3  -0.103966D+01  0.145051D+01 -0.335773D+01 -0.133897D+01 -0.188709D+01
                56            57            58            59            60 
      1  -0.406133D+01 -0.188709D+01 -0.959172D+00  0.103884D+01 -0.696576D-01
      2  -0.954791D+01 -0.195726D+01  0.103884D+01 -0.444054D+00 -0.849811D+00
      3  -0.195726D+01 -0.251395D+01 -0.696576D-01 -0.849811D+00  0.123569D+01
                61            62            63            64            65 
      1  -0.143387D+01 -0.531112D+00 -0.153948D+01 -0.181230D+01  0.227185D+01
      2  -0.531112D+00 -0.265850D+01  0.337299D+01  0.227185D+01 -0.132904D+01
      3  -0.153948D+01  0.337299D+01  0.765364D+00 -0.907869D-01  0.164361D+00
                66            67            68            69            70 
      1  -0.907869D-01  0.342095D+01 -0.309724D+01 -0.831865D-01 -0.339405D+00
      2   0.164361D+00 -0.309724D+01  0.612788D+01  0.247567D+00 -0.947246D-01
      3  -0.147510D+00 -0.831865D-01  0.247567D+00  0.767358D+00  0.825554D-01
                71            72            73            74            75 
      1  -0.947246D-01  0.825554D-01 -0.516134D+01 -0.301536D+01 -0.117163D+01
      2   0.759982D+00  0.177680D+00 -0.301536D+01 -0.316707D+01 -0.931051D+00
      3   0.177680D+00  0.660753D-01 -0.117163D+01 -0.931051D+00 -0.792711D+00
                76            77            78            79            80 
      1  -0.360533D+01 -0.416488D+01 -0.122911D+01 -0.153753D+01 -0.122613D+01
      2  -0.416488D+01 -0.613916D+01 -0.156592D+01 -0.122613D+01 -0.137702D+01
      3  -0.122911D+01 -0.156592D+01 -0.124942D+01  0.631460D-02 -0.681165D+00
                81            82            83            84            85 
      1   0.631460D-02  0.142433D+01 -0.179123D+01 -0.212602D+00 -0.989626D+00
      2  -0.681165D+00 -0.179123D+01  0.285815D+01  0.346153D+00  0.206423D+01
      3  -0.360047D+00 -0.212602D+00  0.346153D+00  0.318714D+00  0.436850D+00
                86            87            88            89            90 
      1   0.206423D+01  0.436850D+00 -0.964848D-01  0.134556D+00 -0.222429D-01
      2  -0.955581D+01 -0.146116D+01  0.134556D+00 -0.139121D+01 -0.446090D+00
      3  -0.146116D+01 -0.118236D+01 -0.222429D-01 -0.446090D+00 -0.269871D+00
                91            92            93            94            95 
      1   0.245673D+02  0.347280D+01 -0.187305D+01  0.304011D+01  0.255806D+01
      2   0.347280D+01  0.169772D+01 -0.683318D+00  0.255806D+01 -0.691573D+00
      3  -0.187305D+01 -0.683318D+00  0.283581D+01 -0.682740D-02  0.289614D+01
                96            97            98            99           100 
      1  -0.682740D-02 -0.849695D+01 -0.137169D+01  0.563859D+01  0.697869D+01
      2   0.289614D+01 -0.137169D+01  0.166289D+01  0.227057D+01 -0.619432D+00
      3   0.111703D+01  0.563859D+01  0.227057D+01 -0.133107D+00  0.180472D+01
               101           102           103           104           105 
      1  -0.619432D+00  0.180472D+01  0.264197D+01 -0.217316D+01  0.991643D+00
      2  -0.209295D+01  0.130158D+01 -0.217316D+01  0.978873D+00 -0.281025D+01
      3   0.130158D+01 -0.324387D+01  0.991643D+00 -0.281025D+01 -0.187246D+01
               106           107           108           109           110 
      1   0.242779D+01  0.112513D+01 -0.195913D+01  0.333244D+01  0.204853D+01
      2   0.112513D+01 -0.187994D+01 -0.311585D+01  0.204853D+01  0.615394D+00
      3  -0.195913D+01 -0.311585D+01  0.291738D+01 -0.185811D+00 -0.432119D+00
               111           112           113           114           115 
      1  -0.185811D+00  0.139781D+01 -0.766397D+00  0.280265D+00  0.157540D+02
      2  -0.432119D+00 -0.766397D+00 -0.385027D-03 -0.272164D+00  0.170029D+01
      3  -0.852530D+00  0.280265D+00 -0.272164D+00 -0.470238D+00 -0.622596D+01
               116           117           118           119           120 
      1   0.170029D+01 -0.622596D+01 -0.282705D+01 -0.156849D+01 -0.143662D+01
      2   0.841180D+00 -0.787374D+00 -0.156849D+01 -0.100448D+01 -0.400661D+00
      3  -0.787374D+00 -0.594973D-01 -0.143662D+01 -0.400661D+00 -0.155791D+01
               121           122           123           124           125 
      1  -0.590030D+01 -0.187032D+01 -0.114209D+01 -0.243522D+01 -0.496786D+00
      2  -0.187032D+01 -0.260435D+01 -0.202054D+01 -0.496786D+00 -0.208697D+01
      3  -0.114209D+01 -0.202054D+01 -0.204515D+01 -0.243831D+01 -0.177539D+01
               126           127           128           129           130 
      1  -0.243831D+01  0.918397D+00  0.186560D+00 -0.999954D+00 -0.376614D+00
      2  -0.177539D+01  0.186560D+00  0.121088D+01 -0.115271D+01  0.146426D+00
      3  -0.375403D+01 -0.999954D+00 -0.115271D+01  0.250909D+01 -0.121299D+00
               131           132           133           134           135 
      1   0.146426D+00 -0.121299D+00 -0.182884D+01  0.330261D+00  0.118529D+00
      2   0.148116D+01 -0.120619D+01  0.330261D+00 -0.215106D+01  0.283623D+01
      3  -0.120619D+01  0.178057D+01  0.118529D+00  0.283623D+01 -0.699042D+01
               136           137           138           139           140 
      1   0.476736D-02  0.312140D+00  0.396485D+00  0.144727D+01 -0.687412D+00
      2   0.312140D+00  0.666610D+00 -0.999498D-01 -0.687412D+00  0.421702D+01
      3   0.396485D+00 -0.999498D-01  0.597599D+00 -0.512830D-01  0.150534D+01
               141           142           143           144           145 
      1  -0.512830D-01  0.166562D+01 -0.957166D+00  0.920489D-01 -0.129531D+02
      2   0.150534D+01 -0.957166D+00  0.302767D+01  0.160776D+01  0.258644D+01
      3   0.180824D+01  0.920489D-01  0.160776D+01  0.192931D+01 -0.235797D+01
               146           147           148           149           150 
      1   0.258644D+01 -0.235797D+01  0.804500D+00 -0.946046D+00 -0.784670D-01
      2  -0.166831D+01  0.652566D+00 -0.946046D+00  0.201304D+00  0.493603D-01
      3   0.652566D+00 -0.164755D+01 -0.784670D-01  0.493603D-01  0.253016D-01
               151           152           153           154           155 
      1  -0.150725D+01  0.135048D+00 -0.128424D+01 -0.182665D+02 -0.371142D+01
      2   0.135048D+00  0.361175D-01  0.517043D+00 -0.371142D+01 -0.250941D+01
      3  -0.128424D+01  0.517043D+00 -0.972999D+00  0.117025D+01  0.825081D+00
               156           157           158           159           160 
      1   0.117025D+01 -0.446786D+01 -0.470629D+01  0.174473D+00  0.167705D+01
      2   0.825081D+00 -0.470629D+01 -0.292695D+01  0.507914D+00  0.548105D+00
      3  -0.309414D+01  0.174473D+00  0.507914D+00 -0.642515D+00 -0.255741D+01
               161           162           163           164           165 
      1   0.548105D+00 -0.255741D+01 -0.152292D+02 -0.186386D+01  0.510290D+01
      2  -0.306491D+00 -0.822545D+00 -0.186386D+01  0.232295D+00 -0.272326D-02
      3  -0.822545D+00  0.264678D+00  0.510290D+01 -0.272326D-02 -0.110349D+01
               166           167           168           169           170 
      1  -0.415368D+01  0.492489D-01  0.785754D+00 -0.439219D+00 -0.727027D+00
      2   0.492489D-01  0.235835D+00  0.138971D+01 -0.727027D+00  0.584528D+00
      3   0.785754D+00  0.138971D+01 -0.222547D+00  0.244080D-01 -0.268187D+00
               171           172           173           174           175 
      1   0.244080D-01  0.123398D+02  0.102622D+01 -0.293916D+01  0.306169D+01
      2  -0.268187D+00  0.102622D+01  0.204051D+00 -0.182687D+00 -0.953310D-01
      3   0.692921D+01 -0.293916D+01 -0.182687D+00  0.324455D+01 -0.893800D+00
               176           177           178           179           180 
      1  -0.953310D-01 -0.893800D+00 -0.736371D+01 -0.500949D+00  0.269567D+01
      2   0.129541D+00  0.666747D+00 -0.500949D+00  0.109067D+01  0.350594D+00
      3   0.666747D+00  0.950515D+00  0.269567D+01  0.350594D+00  0.255276D+00
               181           182           183           184           185 
      1   0.114819D+02  0.172092D+01  0.816146D+00  0.646694D+01  0.231524D+00
      2   0.172092D+01  0.105234D+02  0.815682D+00  0.231524D+00 -0.395098D+01
      3   0.816146D+00  0.815682D+00  0.223369D+01 -0.283452D+00 -0.123779D+01
               186           187           188           189           190 
      1  -0.283452D+00  0.134023D+01 -0.100054D+01  0.460560D+01  0.322791D+02
      2  -0.123779D+01 -0.100054D+01 -0.659780D+00  0.313770D+01  0.205067D+01
      3   0.984981D+00  0.460560D+01  0.313770D+01  0.263188D+01  0.233909D+01
               191           192           193           194           195 
      1   0.205067D+01  0.233909D+01  0.184582D+02  0.921364D+00  0.642574D+00
      2   0.591557D+01  0.543152D+00  0.921364D+00  0.121756D+02  0.145679D+01
      3   0.543152D+00  0.387070D+01  0.642574D+00  0.145679D+01  0.606484D+00
               196           197           198           199           200 
      1   0.557164D+01 -0.872847D+00  0.687649D+01 -0.384524D+02 -0.484587D+01
      2  -0.872847D+00  0.261655D+01  0.101951D+01 -0.484587D+01 -0.721205D+01
      3   0.687649D+01  0.101951D+01  0.215480D+01 -0.415056D+01 -0.921968D+00
               201           202           203           204           205 
      1  -0.415056D+01 -0.201252D+02 -0.350434D+00 -0.183307D+01 -0.842402D+01
      2  -0.921968D+00 -0.350434D+00 -0.528267D+01  0.246869D+00 -0.254505D+00
      3  -0.307336D+00 -0.183307D+01  0.246869D+00 -0.253746D+01 -0.463990D+00
               206           207           208           209           210 
      1  -0.254505D+00 -0.463990D+00 -0.310201D+01  0.763404D+00 -0.385778D+00
      2  -0.575219D+00 -0.356435D+01  0.763404D+00 -0.242637D+01 -0.419656D+00
      3  -0.356435D+01 -0.174676D+01 -0.385778D+00 -0.419656D+00 -0.548836D+00
               211           212           213           214           215 
      1  -0.675053D+00  0.266009D+01  0.544139D+00 -0.611723D+00  0.401243D+00
      2   0.266009D+01  0.153447D+01  0.721731D+00  0.401243D+00 -0.165052D+00
      3   0.544139D+00  0.721731D+00 -0.100794D+01  0.686038D+00  0.433253D+00
               216           217           218           219           220 
      1   0.686038D+00 -0.200750D+01 -0.183276D+01 -0.644175D+00 -0.140368D+01
      2   0.433253D+00 -0.183276D+01  0.304271D+01 -0.483609D+00 -0.121095D+01
      3   0.552826D-01 -0.644175D+00 -0.483609D+00  0.145286D+01 -0.967367D+00
               221           222           223           224           225 
      1  -0.121095D+01 -0.967367D+00 -0.113381D+00 -0.730562D+00 -0.180569D+01
      2  -0.205525D+00 -0.198253D+01 -0.730562D+00 -0.118612D+01  0.380241D+01
      3  -0.198253D+01  0.547782D+01 -0.180569D+01  0.380241D+01  0.245816D+01
               226           227           228           229           230 
      1  -0.110290D+01  0.150331D+01  0.123994D+00  0.584161D+00 -0.148438D+01
      2   0.150331D+01 -0.297434D+01 -0.284001D+00 -0.148438D+01  0.960772D+01
      3   0.123994D+00 -0.284001D+00 -0.301029D+00 -0.314744D+00  0.118329D+01
               231           232           233           234           235 
      1  -0.314744D+00 -0.616743D-01 -0.161200D+00  0.159973D+00  0.585393D+01
      2   0.118329D+01 -0.161200D+00  0.125688D+01  0.414871D+00  0.408852D+01
      3   0.109448D+01  0.159973D+00  0.414871D+00  0.276553D+00  0.132728D+01
               236           237           238           239           240 
      1   0.408852D+01  0.132728D+01  0.476500D+01  0.497041D+01  0.133409D+01
      2   0.389929D+01  0.990024D+00  0.497041D+01  0.661546D+01  0.150564D+01
      3   0.990024D+00  0.940612D+00  0.133409D+01  0.150564D+01  0.126253D+01
               241           242           243           244           245 
      1   0.166338D+01  0.141414D+01  0.940777D-01  0.206294D+01 -0.230955D+01
      2   0.141414D+01  0.157915D+01  0.614626D+00 -0.230955D+01  0.145362D+01
      3   0.940777D-01  0.614626D+00  0.349563D+00 -0.208011D+00 -0.260013D-01
               246           247           248           249           250 
      1  -0.208011D+00 -0.387202D+01  0.323159D+01  0.267680D+00 -0.482251D+00
      2  -0.260013D-01  0.323159D+01 -0.606830D+01 -0.670402D+00  0.280178D+00
      3   0.133163D+00  0.267680D+00 -0.670402D+00 -0.760693D+00  0.322829D-01
               251           252           253           254           255 
      1   0.280178D+00  0.322829D-01  0.159860D+02 -0.546883D+00  0.144216D+01
      2  -0.948604D+00 -0.198253D-01 -0.546883D+00  0.977507D+00 -0.560571D-01
      3  -0.198253D-01 -0.923809D-01  0.144216D+01 -0.560571D-01  0.134730D+01
               256           257           258           259           260 
      1   0.207924D+01  0.107353D+01  0.174831D+00  0.199284D+01 -0.830644D-01
      2   0.107353D+01  0.354984D+00  0.261599D+00 -0.830644D-01  0.319469D+00
      3   0.174831D+00  0.261599D+00  0.474622D-01  0.164243D+01 -0.359951D+00
               261           262           263           264           265 
      1   0.164243D+01 -0.196276D+00  0.382861D+00 -0.698359D+00 -0.908959D+00
      2  -0.359951D+00  0.382861D+00 -0.185824D+00  0.210016D+00  0.152526D+01
      3   0.365241D+00 -0.698359D+00  0.210016D+00 -0.577074D+00  0.118329D+01
               266           267           268           269           270 
      1   0.152526D+01  0.118329D+01 -0.467735D+01  0.214533D+01  0.309677D+01
      2  -0.169009D+01 -0.136808D+01  0.214533D+01 -0.187086D+01 -0.232312D+01
      3  -0.136808D+01 -0.213187D+01  0.309677D+01 -0.232312D+01 -0.579870D+01
               271           272           273           274           275 
      1  -0.136581D+01  0.609315D+00  0.386422D+00 -0.164305D+01  0.208766D+01
      2   0.609315D+00 -0.930325D+00  0.727352D+00  0.208766D+01 -0.393273D+01
      3   0.386422D+00  0.727352D+00 -0.131589D+01 -0.995777D+00  0.267508D+01
               276           277           278           279 
      1  -0.995777D+00  0.282712D+01 -0.153478D+01  0.177646D+01
      2   0.267508D+01 -0.153478D+01  0.270462D+01 -0.280371D+01
      3  -0.284038D+01  0.177646D+01 -0.280371D+01  0.362694D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.393720D+01 -0.328090D+01  0.559661D+00 -0.776116D+01 -0.672385D+01
      2  -0.916935D+01 -0.358930D+01 -0.144441D+01  0.113096D+02  0.175537D+00
      3  -0.293250D+02  0.211111D+02  0.703144D+00  0.409127D+02  0.197926D+02
                 6             7             8             9            10 
      1  -0.193131D+01  0.368416D+01  0.612728D+01  0.121682D+01 -0.143806D+01
      2  -0.101843D+01 -0.180766D+02 -0.295504D+01 -0.279760D+01  0.214996D+02
      3   0.625472D+01  0.261051D+01  0.717531D+01 -0.261549D+00  0.253937D+01
                11            12            13            14            15 
      1  -0.578753D+01 -0.111428D+01 -0.503039D+01 -0.185421D+01  0.316888D+00
      2  -0.751945D+00 -0.484264D+01 -0.183544D+02 -0.515178D+01 -0.252616D+01
      3   0.272731D+02  0.328001D+01  0.466754D+02  0.231543D+02  0.861551D+01
                16            17            18            19            20 
      1   0.381574D+01  0.718557D+01  0.228877D+01 -0.479368D+01  0.681112D+00
      2  -0.230723D+02 -0.348982D+01 -0.327586D+01  0.161528D+02  0.599807D+01
      3   0.570417D+01  0.828826D+01  0.278742D+01  0.311119D+02 -0.168088D+02
                21            22            23            24            25 
      1  -0.647687D+00 -0.636373D+00 -0.318287D+01 -0.258448D+01  0.766886D+01
      2   0.111433D+01  0.150865D+02  0.223627D+01 -0.898514D+00 -0.145328D+02
      3   0.574606D+00  0.949691D+01  0.233346D+01  0.486315D+00 -0.893339D+00
                26            27            28            29            30 
      1   0.275980D+01 -0.218033D+01 -0.812429D+00 -0.146199D+01 -0.184716D+00
      2  -0.630856D+01 -0.285114D+01 -0.303961D+02 -0.448473D+01  0.200809D+00
      3  -0.359546D+01  0.153258D+01 -0.596126D+01  0.742652D+01  0.108377D+01
                31            32            33            34            35 
      1  -0.660529D+01  0.286287D+01  0.320748D+01 -0.227022D+01  0.142678D+02
      2  -0.686835D+01  0.205357D+01  0.407725D+00 -0.165230D+02 -0.439826D+00
      3   0.241793D+02 -0.584310D+01 -0.470064D+01  0.198252D+01 -0.178913D+00
                36            37            38            39            40 
      1   0.365424D+01 -0.125973D+01  0.525081D+01 -0.366112D+01  0.412621D+01
      2  -0.896422D+00 -0.105395D+01  0.378145D+00  0.185700D+01 -0.467411D+01
      3  -0.188243D+01  0.210617D+02 -0.541814D+01 -0.135098D+01  0.101391D+01
                41            42            43            44            45 
      1  -0.372020D+01 -0.216531D+01 -0.150562D+02  0.454213D+01 -0.741417D+00
      2  -0.455742D+01  0.881757D+00 -0.112056D+02  0.683282D+01 -0.380533D+00
      3   0.931983D+01  0.389211D+01 -0.461064D+00  0.257115D+01  0.524816D+01
                46            47            48            49            50 
      1   0.232600D+01 -0.845323D+00  0.434759D+01  0.120211D+01  0.383047D+01
      2   0.724276D+01  0.246648D+01  0.235862D+01  0.288142D+01  0.251956D+01
      3  -0.346996D+02 -0.220840D+02 -0.479218D+01 -0.107861D+02 -0.207191D+02
                51            52            53            54            55 
      1  -0.243254D+01  0.102768D+02 -0.219709D+01  0.261048D+01  0.247657D+01
      2   0.146252D+01 -0.160826D+02  0.294738D+00  0.227040D+00  0.521458D+01
      3  -0.400153D+01 -0.828412D+01 -0.565393D+01 -0.695125D+01 -0.258371D+02
                56            57            58            59            60 
      1   0.368792D+01  0.673496D+01 -0.134830D+01  0.360532D+01 -0.233344D+01
      2   0.401449D+00 -0.468948D+01  0.413186D+01  0.242827D+01  0.360711D+01
      3  -0.116315D+02 -0.302726D+01 -0.135138D+01 -0.200463D+02 -0.881960D+00
                61            62            63            64            65 
      1   0.918768D+01 -0.165908D+01  0.137627D+01 -0.256097D+00 -0.739461D+00
      2  -0.211502D+02  0.436231D+01  0.239059D+00  0.709200D+00  0.216474D+00
      3  -0.475333D+01 -0.251578D+01 -0.128054D+02 -0.234138D+01  0.160014D+01
                66            67            68            69            70 
      1   0.955979D+00  0.293514D+00 -0.149526D+01 -0.370295D+01  0.227957D+00
      2  -0.567761D-02  0.631168D+00 -0.940513D+00 -0.164719D+01 -0.274523D+01
      3  -0.157362D+00  0.662842D+01  0.370197D+01  0.818151D+00 -0.320000D-01
                71            72            73            74            75 
      1   0.182031D+01  0.371384D-01  0.283646D+00  0.136426D+01 -0.220227D+01
      2   0.782156D+00 -0.111189D+00 -0.360340D+01 -0.117595D+01  0.122014D+01
      3   0.866777D+00 -0.608610D+00  0.766690D+01 -0.325927D+00  0.639713D+00
                76            77            78            79            80 
      1   0.131489D+01  0.263285D+01 -0.299946D+01  0.303177D+01  0.214680D+01
      2  -0.176872D+01 -0.127869D+01  0.211326D+01 -0.323527D+01 -0.353806D+00
      3   0.206185D+01 -0.235867D+01 -0.108326D-01  0.158743D+01 -0.395084D+00
                81            82            83            84            85 
      1   0.815204D-01  0.137093D+01 -0.177130D+01  0.151278D+01 -0.580902D+00
      2   0.749255D+00  0.155482D+01 -0.119347D+01  0.805387D+00 -0.118038D+01
      3  -0.915817D+00 -0.622451D+01  0.231458D+01  0.984771D-01  0.580085D+01
                86            87            88            89            90 
      1   0.394017D+01 -0.413061D+01 -0.127113D+01  0.268331D+01 -0.403396D+00
      2   0.190833D+01 -0.994393D+00 -0.721524D+00 -0.619762D+00 -0.433087D+00
      3  -0.352168D+01 -0.104402D+01 -0.294533D+00 -0.841006D+00  0.778048D+00
                91            92            93            94            95 
      1  -0.412447D+00 -0.141515D+01  0.297033D+00  0.223988D+01 -0.108049D+00
      2   0.231175D+02  0.380801D+01 -0.866106D+01  0.245847D+01 -0.707220D+01
      3   0.537339D+01 -0.160859D+01 -0.957613D+00  0.172627D+02 -0.534900D+01
                96            97            98            99           100 
      1  -0.265008D+01  0.344059D+00  0.391354D+01 -0.400414D+01 -0.172693D+01
      2  -0.297396D+01 -0.389408D+02 -0.866025D+01  0.308232D+01  0.180084D+01
      3   0.113301D+02 -0.228789D+01  0.110225D+02  0.846435D+01  0.144898D+02
               101           102           103           104           105 
      1   0.277885D+01  0.262121D+01  0.682234D+00  0.374523D+01  0.620852D+01
      2  -0.485696D+01  0.161486D+02 -0.150868D+01  0.763603D+01  0.831118D+01
      3  -0.160160D+02  0.828378D+01 -0.886352D+01 -0.165197D+01 -0.119526D+02
               106           107           108           109           110 
      1  -0.934955D+00  0.101696D+02  0.580397D-01  0.610441D+01  0.150308D+01
      2   0.731583D+01  0.126799D+02 -0.126209D+02 -0.213831D+02 -0.399967D+01
      3   0.631750D+01 -0.772455D+01 -0.169232D+02 -0.160417D+01  0.146131D+02
               111           112           113           114           115 
      1   0.615288D+01  0.122490D+02  0.551849D+01 -0.163004D+02  0.373284D+01
      2   0.248306D+00 -0.205355D+01 -0.376566D+00 -0.521650D+01  0.246641D+02
      3   0.750977D+00  0.123209D+02  0.111601D+02 -0.284540D+01  0.534033D+01
               116           117           118           119           120 
      1  -0.446742D+01 -0.253172D+01  0.450413D+00  0.119809D+01  0.177503D+00
      2   0.430672D+00  0.675721D+00  0.371145D+01  0.611705D+00  0.584532D+01
      3  -0.359642D+01 -0.257129D+01 -0.716173D+01 -0.580174D+01 -0.171763D+01
               121           122           123           124           125 
      1   0.245140D-01  0.219228D+01  0.145202D+00 -0.108371D+00  0.287363D+01
      2  -0.111126D+01  0.524065D+01  0.657833D+01  0.507757D+01  0.530646D+01
      3  -0.231433D+01 -0.896256D+01 -0.713022D+01 -0.124608D+01 -0.865107D+01
               126           127           128           129           130 
      1   0.718159D+00  0.590019D+00 -0.154142D+01 -0.237596D+01 -0.151941D+00
      2   0.101572D+02  0.703545D+01  0.366027D+01 -0.925713D+01  0.558555D+00
      3  -0.693296D+01  0.358802D+01  0.546040D+01 -0.621620D+01  0.317218D+01
               131           132           133           134           135 
      1  -0.480407D+00 -0.269362D+01 -0.134924D+01  0.144052D+01  0.623937D+01
      2   0.451756D+01 -0.667302D+01 -0.570349D+01 -0.953694D+01  0.245256D+02
      3   0.590115D+01 -0.537060D+01 -0.301192D+01 -0.773502D+01  0.129943D+02
               136           137           138           139           140 
      1  -0.151660D+01 -0.843948D+00 -0.154299D+01  0.807551D-01 -0.745624D+01
      2  -0.232711D+01  0.789010D+00 -0.168162D+01  0.891999D+00 -0.616671D+01
      3   0.439011D+01  0.357196D+01  0.108763D+01  0.266302D+01  0.171379D+02
               141           142           143           144           145 
      1  -0.728573D+01  0.116235D+00 -0.493477D+01 -0.705963D+01  0.558119D+00
      2  -0.659480D+01 -0.125693D+01 -0.630447D+01 -0.704341D+01 -0.631838D+01
      3   0.701847D+01  0.144985D+01  0.120313D+02  0.838079D+01 -0.854122D+01
               146           147           148           149           150 
      1   0.183195D+01  0.191552D+01  0.101056D+01 -0.205005D+00 -0.124754D+01
      2  -0.623480D-01  0.647947D+01  0.789110D+00 -0.174879D+01 -0.800084D-01
      3  -0.675028D+01 -0.341042D+00 -0.128582D+01 -0.291562D+00  0.144675D+01
               151           152           153           154           155 
      1   0.112127D+01 -0.271489D+00  0.281609D+00 -0.412446D+01 -0.132124D+01
      2   0.247249D+01 -0.158490D+01  0.254903D+01  0.103863D+02  0.204394D+00
      3  -0.166283D+01  0.907103D+00  0.560544D+00 -0.598273D+01 -0.251634D+02
               156           157           158           159           160 
      1  -0.595308D+01 -0.900052D+01 -0.345579D+01  0.293210D-01 -0.276901D+01
      2   0.242376D+02 -0.180208D+01  0.124773D+01  0.679259D+01  0.623518D+01
      3   0.137332D+01 -0.170090D+02 -0.154958D+02  0.175057D+01  0.209266D+00
               161           162           163           164           165 
      1   0.261424D+01  0.321245D+00 -0.701786D+01 -0.244222D+01  0.471675D+00
      2   0.357396D+01 -0.148805D+01  0.966122D+01  0.400868D+01  0.194643D+01
      3   0.208256D+01 -0.207615D+01 -0.639682D+01 -0.352010D+01 -0.787271D-01
               166           167           168           169           170 
      1  -0.541312D+01 -0.379837D+00  0.466242D+01  0.161073D+01  0.823844D+01
      2   0.465204D+01 -0.604082D+01  0.157071D+01 -0.118284D+02  0.692945D+00
      3   0.136681D+01 -0.912930D-01  0.640644D+01 -0.228200D+01  0.259583D+01
               171           172           173           174           175 
      1   0.303666D+01  0.759951D+01  0.257328D+01 -0.158019D+01  0.668604D+01
      2  -0.225857D+02 -0.215823D+02 -0.262916D+01 -0.646319D+01 -0.511416D+01
      3  -0.388028D+00  0.350110D+01  0.201359D+01 -0.120582D+01  0.552308D+01
               176           177           178           179           180 
      1   0.842686D+00 -0.284158D+01 -0.171997D+01 -0.120703D+01  0.700198D+00
      2  -0.252997D+01 -0.186849D+01 -0.944465D+00  0.284684D+00 -0.172220D+01
      3   0.113441D+00  0.669337D+00 -0.199028D+01 -0.808572D+00  0.690326D+00
               181           182           183           184           185 
      1  -0.762414D+00 -0.143119D+01 -0.626965D+01  0.408178D+01 -0.285090D+01
      2  -0.156548D+01  0.946972D+00  0.694324D+01  0.305414D+01 -0.816666D+01
      3   0.245291D+02 -0.118409D+02  0.977189D+00 -0.748226D+01  0.265874D+02
               186           187           188           189           190 
      1  -0.161564D+01 -0.157325D+02  0.480955D+01 -0.302650D+01 -0.131780D+01
      2   0.160061D+01 -0.409962D+00  0.107145D+02  0.462633D+01  0.943958D+01
      3   0.438910D+01 -0.610301D+00  0.593605D+01  0.211484D+01  0.704727D+01
               191           192           193           194           195 
      1  -0.608789D+01 -0.164799D+01 -0.802450D+01 -0.435889D+01  0.306598D+01
      2  -0.342438D+01  0.120365D+01 -0.294530D+01  0.526890D+01  0.114325D+01
      3   0.200359D+02  0.447080D+01  0.550400D+02 -0.220527D+02  0.254435D+01
               196           197           198           199           200 
      1   0.159071D+01  0.126981D+02  0.318031D+01  0.201037D+00  0.403759D+01
      2   0.892981D+00  0.270128D+01  0.323752D+01 -0.142392D+02  0.115739D+01
      3   0.114920D+02  0.110614D+01 -0.192674D+00  0.315398D+01 -0.176356D+02
               201           202           203           204           205 
      1   0.699140D+00  0.149802D+01  0.203864D+01 -0.310351D+01  0.314188D+01
      2   0.313935D+01 -0.552945D+00  0.287458D+01 -0.479935D+01 -0.213665D+02
      3  -0.248699D+01 -0.130409D+02 -0.728460D+00 -0.403391D+01 -0.570578D+01
               206           207           208           209           210 
      1   0.363129D+01  0.742689D+00  0.142251D+01  0.590444D+01  0.188010D+01
      2  -0.124691D+02 -0.590821D+01  0.103639D+01  0.499630D+01  0.120082D+02
      3  -0.541308D+01  0.457590D+01 -0.117767D+02 -0.400903D+02 -0.624284D+01
               211           212           213           214           215 
      1   0.119240D+01  0.145238D+01 -0.693890D+01 -0.279866D+01 -0.148488D-01
      2   0.216030D+01  0.227808D+01 -0.770386D+01 -0.429090D+01  0.479197D+01
      3  -0.459590D+01 -0.386733D+01 -0.301773D+01 -0.356918D+01 -0.494694D+01
               216           217           218           219           220 
      1  -0.154445D+01 -0.231833D+01 -0.146086D+01  0.155044D+01  0.829436D+00
      2   0.638126D+00 -0.693326D+01 -0.349328D+01  0.747370D+01 -0.416302D+01
      3  -0.229088D+01  0.333473D+02 -0.103517D+02  0.775337D+01  0.409651D+01
               221           222           223           224           225 
      1  -0.708030D+00  0.890880D+01 -0.130513D+02  0.980709D+01  0.484912D+01
      2  -0.715772D+01  0.328876D+02 -0.865048D+01  0.217507D+02  0.155880D+02
      3  -0.220926D+02  0.915750D+01  0.607050D+01  0.588797D+01 -0.275671D+02
               226           227           228           229           230 
      1   0.492958D+00 -0.553805D+00  0.180342D+01  0.400695D+00  0.121999D+00
      2   0.111835D+01 -0.899459D+00  0.202327D+00 -0.112905D+01  0.318450D+01
      3  -0.848120D+01  0.721098D+01  0.397542D+00  0.682724D+01 -0.203751D+02
               231           232           233           234           235 
      1  -0.485297D+01 -0.924383D+00  0.209739D+01 -0.554657D+00 -0.133523D+01
      2   0.794657D+00 -0.891404D-02  0.531712D+00  0.190482D+00  0.181276D+01
      3  -0.309305D+01  0.213506D-01 -0.246578D+01  0.246247D-01  0.415372D+00
               236           237           238           239           240 
      1  -0.554856D-01 -0.280049D+01 -0.861747D+00  0.119474D+00 -0.376249D+01
      2   0.181315D+01  0.378761D+01  0.261279D+01  0.315049D+01  0.495010D+01
      3  -0.657875D+01 -0.649678D+00 -0.575580D+01 -0.137429D+02 -0.244156D+01
               241           242           243           244           245 
      1   0.265480D+01  0.117751D+01 -0.368012D+00  0.532018D+00 -0.498892D+00
      2  -0.241254D+01  0.169805D+01  0.134756D+01  0.660777D+00 -0.576830D+00
      3  -0.913845D+00 -0.264549D+01 -0.194712D+01  0.584684D+00 -0.257498D+01
               246           247           248           249           250 
      1   0.859284D+00 -0.713638D+00  0.389309D+00 -0.326338D+01  0.249656D+00
      2   0.471126D+00 -0.763687D+00 -0.141357D+01 -0.269656D+01 -0.170922D+01
      3  -0.181712D+00  0.987303D-01  0.148686D+02  0.212273D+01 -0.117523D+00
               251           252           253           254           255 
      1   0.159594D+01 -0.123808D+00  0.142958D+01  0.601284D+00  0.137456D+01
      2   0.109261D+01 -0.226260D+00  0.534241D+01 -0.290073D-01  0.100741D+02
      3   0.285714D+01 -0.191549D+00 -0.123374D+02 -0.882250D+01 -0.143530D+01
               256           257           258           259           260 
      1   0.220873D+00  0.466078D+00 -0.692329D+00  0.178886D+01 -0.111480D-01
      2   0.550186D+00  0.126177D+01  0.275289D+00  0.728304D+01 -0.184146D+01
      3  -0.584597D+01 -0.321131D+01 -0.169688D+01 -0.146936D+01 -0.238207D+01
               261           262           263           264           265 
      1   0.856522D-01 -0.334299D+00  0.862107D-01 -0.131404D+01  0.883150D+00
      2   0.179929D+01 -0.593165D+01  0.117552D+01 -0.263510D+01  0.594412D+01
      3   0.147847D+01 -0.569152D+00  0.289739D+01  0.276898D+00 -0.532177D+01
               266           267           268           269           270 
      1  -0.197790D+01 -0.425672D+01  0.509018D+01 -0.134760D+01 -0.984105D+01
      2  -0.782897D+01 -0.125066D+02  0.111649D+02 -0.135379D+02 -0.328696D+02
      3   0.132135D+02  0.885228D+01 -0.742121D+01  0.134222D+02  0.167776D+02
               271           272           273           274           275 
      1  -0.348545D+00  0.397437D-01 -0.261929D+01 -0.698989D+00  0.942416D+00
      2   0.481750D+01  0.279125D+01 -0.613626D+01 -0.372252D+01  0.124485D+02
      3   0.435698D+00  0.803250D+01 -0.516562D+01 -0.633740D+01  0.271222D+02
               276           277           278           279 
      1  -0.470843D+01  0.265603D+01 -0.102749D+01  0.515656D+01
      2  -0.151789D+02  0.461123D+01 -0.144248D+02  0.177666D+02
      3  -0.157222D+02  0.422120D+01 -0.172012D+02  0.180981D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.754642D+02 -0.290039D+02 -0.103190D+02  0.814367D+02 -0.332448D+00
      2   0.386396D+02  0.173663D+02  0.768315D+01 -0.366445D+02  0.113361D+02
      3   0.368246D+02  0.116376D+02  0.263590D+01 -0.447923D+02 -0.110037D+02
      4  -0.329424D+01  0.145725D+02  0.344793D+01  0.106613D+02  0.218311D+02
      5  -0.983043D+01  0.117918D+01 -0.319482D+01  0.985707D+00  0.211704D+01
      6  -0.162241D+01  0.384038D+01 -0.623729D+00 -0.168278D+01 -0.154919D+00
                 6             7             8             9            10 
      1   0.101186D+02  0.422040D+01 -0.155863D+01 -0.868446D+01  0.961473D+02
      2  -0.177975D+01  0.486208D+00  0.350965D+01 -0.807061D-01 -0.389408D+02
      3  -0.833889D+01 -0.470660D+01 -0.195102D+01  0.876517D+01 -0.572064D+02
      4   0.536939D+01  0.175626D+01  0.423855D+01  0.271254D+01 -0.255910D+02
      5  -0.363593D+01 -0.393080D+00  0.172052D+01 -0.332878D+01  0.657784D+01
      6  -0.102934D+00 -0.307595D+01  0.487437D+01 -0.244389D+01 -0.106676D+00
                11            12            13            14            15 
      1  -0.145366D+02  0.904763D+01 -0.828533D+02 -0.268956D+02 -0.116604D+02
      2   0.109229D+02 -0.159539D+01  0.316665D+02  0.169414D+02  0.774961D+01
      3   0.361367D+01 -0.745224D+01  0.511868D+02  0.995417D+01  0.391079D+01
      4   0.109974D+02  0.233758D+01 -0.268232D+02 -0.191217D+02 -0.456218D+01
      5   0.392653D+01 -0.113048D+02 -0.370094D+01 -0.844712D+00  0.113720D+01
      6   0.334764D+00  0.431770D+00 -0.175791D+01  0.472430D+01 -0.920297D+00
                16            17            18            19            20 
      1  -0.274336D+01 -0.490607D+01 -0.695545D+01  0.388744D+02  0.369563D+02
      2   0.322143D+01  0.275929D+01 -0.156034D+01 -0.187156D+02 -0.240807D+02
      3  -0.478075D+00  0.214677D+01  0.851579D+01 -0.201588D+02 -0.128756D+02
      4  -0.783183D+01 -0.173024D+01 -0.512193D+01  0.826695D+01 -0.185578D+02
      5   0.206972D+01 -0.308244D+01 -0.465543D+01  0.857248D+01  0.161408D+01
      6  -0.293208D+01  0.483578D+01 -0.139835D+01  0.281441D+01 -0.812152D+01
                21            22            23            24            25 
      1   0.140913D+02 -0.149934D+02  0.200615D+02  0.102316D+02  0.237796D+01
      2  -0.786774D+01  0.223337D+02 -0.222508D+02 -0.597387D+01  0.564154D+01
      3  -0.622357D+01 -0.734027D+01  0.218930D+01 -0.425769D+01 -0.801950D+01
      4  -0.119547D+01  0.861343D+01 -0.677013D+00  0.206474D+01  0.666511D+01
      5   0.191513D-01  0.583223D+01  0.290633D+01 -0.488456D+01  0.107666D+02
      6  -0.116571D+01  0.684912D+01 -0.919316D+01  0.424922D+01  0.810588D+00
                26            27            28            29            30 
      1   0.166117D+02 -0.419055D+01  0.305759D+02  0.593619D+01 -0.919112D+01
      2  -0.102945D+02 -0.483314D+01 -0.348404D+02 -0.218220D+01  0.339844D+01
      3  -0.631717D+01  0.902369D+01  0.426448D+01 -0.375399D+01  0.579269D+01
      4   0.716054D+00 -0.449838D+01  0.141808D+02  0.111927D+02  0.170338D+01
      5  -0.724774D+01 -0.487273D+01 -0.863793D+01  0.209951D+01  0.651976D+01
      6   0.803609D+01 -0.394837D+01 -0.690783D+01  0.331745D+01  0.142915D+01
                31            32            33            34            35 
      1  -0.214271D+02 -0.528377D+02 -0.118510D+02 -0.148631D+02 -0.116110D+02
      2   0.130027D+02  0.427109D+02  0.130127D+02 -0.375274D+00  0.853119D+01
      3   0.842437D+01  0.101268D+02 -0.116174D+01  0.152384D+02  0.307985D+01
      4  -0.311761D+02  0.161796D+02  0.472590D+01 -0.102206D+02  0.560546D+01
      5  -0.132974D+02  0.822857D+00 -0.793565D-01  0.220120D+02  0.451154D+01
      6  -0.342056D+01  0.138819D+02  0.147506D+00 -0.101682D+01  0.711711D+01
                36            37            38            39            40 
      1  -0.789166D+01 -0.115634D+02 -0.612209D+02 -0.132491D+02  0.281202D+02
      2  -0.625126D+01  0.529018D+01  0.425516D+02  0.410223D+01 -0.252724D+02
      3   0.141429D+02  0.627322D+01  0.186692D+02  0.914690D+01 -0.284777D+01
      4   0.224812D+01 -0.248413D+02  0.502376D+00 -0.484632D+01  0.199961D+02
      5   0.195723D+01 -0.391519D+00 -0.753468D+01  0.120972D+01 -0.475178D+00
      6  -0.171504D+01 -0.579188D+01  0.757865D+01  0.950227D+01 -0.647589D+01
                41            42            43            44            45 
      1   0.296319D+02  0.669564D+01 -0.128358D+01 -0.573511D+01 -0.178406D+02
      2  -0.254530D+02 -0.741568D+01 -0.115767D+02 -0.398049D+01 -0.920578D+00
      3  -0.417893D+01  0.720044D+00  0.128603D+02  0.971560D+01  0.187611D+02
      4  -0.215122D+02 -0.664181D+01 -0.951100D+01 -0.782928D+01  0.435364D+01
      5  -0.482888D+01  0.488900D+01  0.123905D+02  0.448451D+01  0.601611D+01
      6  -0.118774D+02 -0.817670D+00  0.140237D+02  0.104525D+02  0.764062D+01
                46            47            48            49            50 
      1   0.149462D+02  0.501641D+02  0.157467D+02 -0.175259D+02  0.760291D+01
      2  -0.103208D+02 -0.312294D+02 -0.432718D+01  0.148130D+02 -0.130903D+02
      3  -0.462537D+01 -0.189347D+02 -0.114195D+02  0.271298D+01  0.548740D+01
      4   0.265371D+02 -0.120377D+02  0.249825D+00  0.155281D+02  0.119985D+02
      5  -0.555332D+01 -0.599259D+00  0.169683D+01 -0.131550D+01  0.231113D+01
      6   0.170097D+01 -0.109919D+02 -0.104867D+02  0.497032D+01 -0.777728D+01
                51            52            53            54            55 
      1   0.319596D+01  0.110285D+01  0.979427D+01 -0.200168D+02 -0.163432D+02
      2  -0.582808D+01  0.242959D+01 -0.174136D+02  0.637530D+01  0.140278D+01
      3   0.263212D+01 -0.353244D+01  0.761932D+01  0.136415D+02  0.149404D+02
      4   0.397355D+01  0.589470D+01 -0.119573D+01 -0.291960D+01 -0.131951D+02
      5   0.529396D+00  0.414273D+01 -0.121821D+01 -0.434172D+01  0.383018D+01
      6   0.500436D+01 -0.387676D+01  0.170203D+02  0.532404D+01  0.180924D+01
                56            57            58            59            60 
      1   0.348745D+02  0.792569D+01 -0.395303D+01  0.169436D+02  0.672471D+01
      2  -0.290029D+02 -0.282547D+01  0.626961D+01 -0.191978D+02 -0.691126D+01
      3  -0.587161D+01 -0.510022D+01 -0.231658D+01  0.225423D+01  0.186549D+00
      4  -0.530884D+02 -0.845923D+01  0.134970D+02  0.913848D+01 -0.636407D+00
      5  -0.459543D+01 -0.889758D+01  0.453260D+01 -0.731538D+00  0.474485D+01
      6  -0.576270D+01 -0.116386D+02  0.343297D+01 -0.806176D+01  0.627891D+01
                61            62            63            64            65 
      1  -0.201165D+00  0.110759D+02 -0.252239D+02  0.291387D+01  0.395308D+00
      2   0.977951D+00 -0.159364D+02  0.110000D+02  0.132083D+01 -0.247786D+01
      3  -0.776787D+00  0.486045D+01  0.142240D+02 -0.423470D+01  0.208255D+01
      4   0.269125D+00 -0.115286D+02  0.719433D+01 -0.986714D+01  0.972417D+01
      5  -0.642814D+00  0.117795D+02 -0.735603D+00  0.281981D+01 -0.915688D+00
      6  -0.417615D+01  0.203114D+02  0.879173D+00 -0.166842D+01  0.147992D+01
                66            67            68            69            70 
      1   0.986612D+00  0.343955D+01 -0.197907D+02 -0.927546D+00  0.334511D+01
      2  -0.464538D+00 -0.801804D+01  0.266667D+02  0.783871D+00 -0.255949D+01
      3  -0.522075D+00  0.457849D+01 -0.687596D+01  0.143675D+00 -0.785618D+00
      4  -0.203335D+00  0.142404D+02 -0.193049D+02 -0.656472D+00  0.580153D+00
      5   0.106403D+01 -0.681330D+00 -0.614127D+00 -0.267964D+01  0.403030D+00
      6  -0.935303D+00  0.165168D+01 -0.225235D+01  0.498130D+01 -0.198166D+01
                71            72            73            74            75 
      1  -0.312251D+01 -0.282090D+01  0.111037D+01 -0.574777D+01 -0.236912D+01
      2   0.316707D+01  0.280946D+01  0.486383D+01  0.108381D+02  0.161426D+01
      3  -0.445623D-01  0.114482D-01 -0.597420D+01 -0.509035D+01  0.754858D+00
      4  -0.215302D+01 -0.118761D+01  0.215903D+02  0.206834D+02  0.564218D+01
      5  -0.347639D+00 -0.354764D+00  0.834192D+01  0.590936D+01  0.542979D+01
      6   0.204498D+01  0.108910D+01  0.733081D+01  0.767942D+01  0.508758D+01
                76            77            78            79            80 
      1  -0.914049D+01 -0.206697D+02 -0.662771D+01 -0.617985D+00 -0.430852D+01
      2   0.152884D+02  0.293357D+02  0.538104D+01  0.365666D+01  0.527667D+01
      3  -0.614789D+01 -0.866602D+01  0.124667D+01 -0.303867D+01 -0.968149D+00
      4   0.232409D+02  0.287942D+02  0.693183D+01  0.719054D+01  0.692002D+01
      5   0.660617D+01  0.720164D+01  0.535880D+01  0.237479D+01  0.359744D+01
      6   0.981827D+01  0.142248D+02  0.922601D+01  0.161553D+01  0.560814D+01
                81            82            83            84            85 
      1  -0.214967D+01 -0.483292D+01  0.100614D+02  0.114117D+01  0.828132D+01
      2   0.225877D+01  0.780760D+01 -0.146360D+02 -0.108657D+01 -0.103731D+02
      3  -0.109099D+00 -0.297468D+01  0.457458D+01 -0.546011D-01  0.209174D+01
      4   0.438904D+01 -0.761382D+01  0.148252D+02  0.211286D+01  0.993006D+01
      5   0.246479D+01 -0.259002D+01  0.366281D+01  0.275234D+01  0.265707D+01
      6   0.351107D+01  0.253633D+01 -0.354300D+01 -0.279819D+01 -0.358822D+01
                86            87            88            89            90 
      1  -0.444462D+02 -0.778307D+01  0.946673D+00 -0.633133D+01 -0.258663D+01
      2   0.578647D+02  0.689092D+01 -0.153069D+01  0.732760D+01  0.244661D+01
      3  -0.134186D+02  0.892149D+00  0.584013D+00 -0.996277D+00  0.140019D+00
      4  -0.201380D+02 -0.311788D+01  0.161255D+01 -0.995291D+00 -0.224982D+01
      5  -0.630901D+01 -0.277254D+01  0.155559D+01 -0.250909D+01 -0.782208D+00
      6   0.154735D+02  0.991681D+01 -0.210774D+00  0.535091D+01  0.229511D+01
                91            92            93            94            95 
      1  -0.393062D+02 -0.174795D+02  0.125062D+02 -0.872091D+01 -0.343093D+01
      2   0.319400D+02  0.150411D+02 -0.628550D+01  0.103095D+02  0.325901D+01
      3   0.736623D+01  0.243844D+01 -0.622068D+01 -0.158857D+01  0.171923D+00
      4  -0.205917D+02 -0.136696D+02  0.222143D+01 -0.234387D+02  0.913923D+01
      5   0.140871D+02  0.156528D+01 -0.212370D+02 -0.344056D+01 -0.240510D+02
      6   0.226503D+01 -0.530278D+01  0.610953D-01 -0.619061D+01  0.143915D+01
                96            97            98            99           100 
      1  -0.355512D+01  0.304695D+02  0.586265D+01 -0.174185D+02 -0.626217D+02
      2   0.655102D+01 -0.220702D+02  0.424864D+00  0.117175D+02  0.367461D+02
      3  -0.299590D+01 -0.839930D+01 -0.628752D+01  0.570103D+01  0.258756D+02
      4  -0.245568D+02  0.623411D+01 -0.200545D+02 -0.153180D+02  0.200086D+02
      5  -0.574997D+01 -0.383420D+02 -0.155020D+02 -0.397995D+01 -0.296768D+02
      6  -0.913129D+01 -0.854935D+01 -0.226224D+01 -0.752453D+01  0.381442D+01
               101           102           103           104           105 
      1   0.203833D+02 -0.278996D+02 -0.174229D+01  0.983792D+01 -0.313373D+01
      2  -0.145707D+02  0.872143D+01 -0.311640D+01 -0.680590D+01 -0.144071D+02
      3  -0.581268D+01  0.191782D+02  0.485870D+01 -0.303202D+01  0.175408D+02
      4   0.165393D+02 -0.388717D+01  0.187209D+02 -0.117421D+02  0.247653D+02
      5  -0.497681D+01  0.200992D+02 -0.693608D+01  0.251588D+02  0.106535D+02
      6   0.604549D+01 -0.120896D+02  0.822051D+01 -0.102974D+02 -0.437192D+01
               106           107           108           109           110 
      1  -0.203721D+02 -0.720305D+01  0.345546D+02 -0.905718D+02 -0.181574D+02
      2   0.101027D+02 -0.110328D+02 -0.160392D+02  0.333807D+02  0.247585D-01
      3   0.102694D+02  0.182358D+02 -0.185154D+02  0.571911D+02  0.181326D+02
      4  -0.540147D+01  0.161708D+02  0.154340D+02 -0.349135D+02 -0.262616D+02
      5   0.118143D+02  0.193160D+02 -0.121031D+02  0.154096D+02  0.779903D+01
      6  -0.601397D+01 -0.947587D+01  0.147712D+02  0.190494D+01  0.201594D+01
               111           112           113           114           115 
      1   0.974869D+01 -0.215520D+02 -0.978802D+01  0.424462D+01 -0.476968D+02
      2  -0.191526D+01  0.492102D+01  0.576797D+01 -0.755094D+00  0.360297D+02
      3  -0.783343D+01  0.166310D+02  0.402005D+01 -0.348953D+01  0.116671D+02
      4   0.577009D+01  0.635828D+01 -0.125623D+02  0.336724D+01 -0.727017D+01
      5  -0.127045D+02  0.491517D+01  0.413530D+01 -0.372513D+01  0.401561D+02
      6  -0.356117D+01  0.419821D+01  0.464256D+00  0.350628D+01  0.119510D+02
               116           117           118           119           120 
      1  -0.431295D+01  0.326934D+02  0.119309D+02  0.783536D+01  0.563096D+01
      2   0.529968D+01 -0.105857D+02 -0.913394D+01 -0.561356D+01 -0.510069D+01
      3  -0.986733D+00 -0.221078D+02 -0.279692D+01 -0.222179D+01 -0.530274D+00
      4  -0.208669D+00  0.854750D+01  0.141413D+02  0.121345D+02  0.477606D+01
      5   0.801429D+01 -0.154962D+01  0.145715D+02  0.561000D+01  0.163380D+02
      6  -0.171367D+01  0.623897D+00  0.545848D+01  0.291668D+01  0.312951D+01
               121           122           123           124           125 
      1   0.177800D+02  0.447084D+00 -0.733689D+00  0.818818D+01 -0.147928D+01
      2  -0.116145D+02 -0.157321D-01 -0.246008D+01 -0.847214D+01 -0.312662D+01
      3  -0.616557D+01 -0.431352D+00  0.319377D+01  0.283965D+00  0.460590D+01
      4   0.161941D+02  0.192529D+02  0.156643D+02  0.635238D+01  0.165991D+02
      5   0.121090D+02  0.158646D+02  0.154635D+02  0.225252D+02  0.134087D+02
      6   0.481033D+01  0.971643D+01  0.100187D+02  0.540728D+01  0.870040D+01
               126           127           128           129           130 
      1  -0.830634D+00 -0.527363D+01 -0.100975D+02  0.195882D+02 -0.156583D+01
      2  -0.982987D+01  0.423079D+00  0.599763D+01 -0.415380D+01  0.362902D+00
      3   0.106605D+02  0.485055D+01  0.409991D+01 -0.154344D+02  0.120293D+01
      4   0.135597D+02  0.684511D+00 -0.651881D+01  0.297985D+01  0.179358D+01
      5   0.287823D+02  0.382739D+01  0.491447D+01 -0.102070D+02 -0.106824D+01
      6   0.963286D+01 -0.295672D+01 -0.661914D+01  0.105625D+02 -0.110604D+01
               131           132           133           134           135 
      1  -0.115369D+02  0.108658D+02  0.127093D+02  0.138820D+02 -0.357727D+02
      2   0.740261D+01 -0.380544D+01 -0.552959D+01 -0.410417D+01 -0.113546D+01
      3   0.413431D+01 -0.706033D+01 -0.717972D+01 -0.977785D+01  0.369081D+02
      4  -0.773694D+01  0.574639D+01 -0.736163D+01  0.128773D+02 -0.149391D+02
      5   0.571757D+01 -0.102076D+02  0.649821D+01 -0.176284D+02  0.403783D+02
      6  -0.888977D+01  0.134948D+02 -0.193283D+00  0.166075D+02 -0.278559D+02
               136           137           138           139           140 
      1   0.240666D+01 -0.715923D+01 -0.678955D+00 -0.758236D+01 -0.129108D+02
      2   0.639820D+00  0.598186D+01  0.184018D+01  0.169104D+01  0.264699D+02
      3  -0.304648D+01  0.117737D+01 -0.116123D+01  0.589132D+01 -0.135591D+02
      4  -0.313486D+01 -0.235315D+01  0.148975D+01  0.101392D+02 -0.293677D+02
      5  -0.156498D+01  0.976578D-01 -0.341360D+01 -0.627563D+00 -0.119756D+02
      6   0.154603D+01 -0.711446D+00  0.262351D+01 -0.284680D+00  0.352306D+01
               141           142           143           144           145 
      1  -0.384457D+01 -0.686112D+01 -0.429837D+01 -0.833483D+01  0.102850D+03
      2   0.114321D+02  0.191541D+01  0.145368D+02  0.947025D+01 -0.546719D+02
      3  -0.758750D+01  0.494571D+01 -0.102385D+02 -0.113542D+01 -0.481786D+02
      4  -0.107826D+02  0.103847D+02 -0.227602D+02 -0.103733D+02 -0.446774D+02
      5  -0.130961D+02 -0.218012D+00 -0.115608D+02 -0.146960D+02  0.399985D+02
      6   0.806627D+01  0.269798D+00  0.617531D+01  0.686312D+01 -0.897930D+01
               146           147           148           149           150 
      1  -0.156295D+02  0.156889D+02 -0.376895D+01  0.685661D+01  0.243109D+00
      2   0.469175D+01 -0.113523D+02 -0.109703D+01 -0.175949D+01  0.283386D+00
      3   0.109378D+02 -0.433659D+01  0.486597D+01 -0.509712D+01 -0.526495D+00
      4   0.216453D+02 -0.919859D+01  0.123913D+02 -0.457074D+01  0.251646D-01
      5  -0.853419D+01  0.208841D+02  0.509445D-01  0.136292D+01 -0.386340D+00
      6   0.498248D+01 -0.542939D+01  0.294943D+01 -0.265657D+00  0.208089D+01
               151           152           153           154           155 
      1   0.114759D+02 -0.614328D+00  0.628234D+01  0.195311D+03  0.331745D+02
      2  -0.888842D+01  0.196661D+01 -0.578056D+01 -0.889445D+02 -0.928482D+01
      3  -0.258747D+01 -0.135228D+01 -0.501775D+00 -0.106366D+03 -0.238897D+02
      4  -0.400888D+01  0.495463D+00 -0.538594D+01  0.536653D+02  0.474864D+02
      5   0.173540D+02 -0.469588D+01  0.101191D+02 -0.350311D+02 -0.997408D+01
      6  -0.355425D+01  0.295591D+01 -0.314372D+01 -0.145423D+01 -0.392297D+01
               156           157           158           159           160 
      1  -0.920665D+01  0.299959D+02  0.352387D+02  0.674299D-01 -0.932269D+01
      2   0.944617D+01 -0.524788D+01 -0.837707D+01  0.407302D+00  0.911585D+01
      3  -0.239521D+00 -0.247481D+02 -0.268617D+02 -0.474732D+00  0.206839D+00
      4  -0.728339D+01  0.559385D+02  0.382034D+02 -0.496313D+01 -0.569643D+01
      5   0.429169D+02 -0.527286D+01 -0.879936D+01  0.987997D+01  0.363131D+02
      6   0.402032D+01 -0.891812D+01 -0.490943D+01  0.645965D+01  0.436924D+01
               161           162           163           164           165 
      1  -0.141513D+01  0.200416D+02  0.637531D+02  0.114593D+02 -0.205753D+02
      2   0.145061D+01 -0.136201D+02 -0.423937D+02 -0.499941D+01  0.125290D+02
      3  -0.354768D-01 -0.642151D+01 -0.213594D+02 -0.645987D+01  0.804626D+01
      4  -0.213852D+01  0.859516D+01  0.187881D+02  0.865001D+01 -0.146777D+01
      5   0.872694D+01 -0.916426D+01 -0.375142D+02 -0.165573D+01  0.214287D+02
      6   0.519973D+01 -0.223803D+01 -0.657169D+01 -0.882835D+00  0.121759D+01
               166           167           168           169           170 
      1   0.186659D+02 -0.968775D+01  0.120812D+01  0.948864D+01  0.469300D+01
      2  -0.105673D+02  0.282820D+01 -0.131542D+01 -0.258298D+01 -0.284674D+01
      3  -0.809864D+01  0.685956D+01  0.107303D+00 -0.690566D+01 -0.184626D+01
      4   0.576404D+01 -0.143266D+01 -0.104053D+02  0.422437D+01 -0.460580D+01
      5  -0.670528D+01 -0.980098D+01  0.134527D+01  0.932686D+01 -0.341033D+00
      6  -0.294204D+01 -0.209548D+01  0.119065D+02 -0.225283D+01  0.106805D+02
               171           172           173           174           175 
      1  -0.373860D+02 -0.564814D+02 -0.533469D+01 -0.275389D+01 -0.141804D+02
      2  -0.100501D+02  0.349119D+02  0.312933D+01 -0.789430D+01  0.996896D+01
      3   0.474361D+02  0.215695D+02  0.220536D+01  0.106482D+02  0.421147D+01
      4  -0.271337D+01 -0.126548D+02 -0.551012D+01  0.127956D+01 -0.184697D+01
      5  -0.385966D+02  0.286248D+02  0.184300D+01 -0.192090D+02  0.672228D+01
      6  -0.203204D+01  0.534936D+01  0.365953D+01 -0.164923D+01  0.148629D+01
               176           177           178           179           180 
      1  -0.489011D+01 -0.144511D+00  0.171650D+02  0.214537D+01 -0.102622D+02
      2   0.286425D+01 -0.266550D+01 -0.157585D+02 -0.179892D+01  0.572641D+01
      3   0.202585D+01  0.281001D+01 -0.140658D+01 -0.346450D+00  0.453579D+01
      4  -0.913009D+00 -0.256804D+01  0.617321D+01  0.103186D+01 -0.203566D+01
      5  -0.216425D+01 -0.542860D+01 -0.146727D+02 -0.104404D+01  0.502627D+01
      6   0.124155D+01  0.255744D+01 -0.224877D+01  0.569350D+00  0.156619D+01
               181           182           183           184           185 
      1   0.314930D+02 -0.496563D+02 -0.642067D+01  0.367142D+02  0.158049D+02
      2  -0.152903D+02  0.400665D+02  0.198798D+01 -0.271282D+02 -0.176838D+02
      3  -0.162026D+02  0.958982D+01  0.443269D+01 -0.958604D+01  0.187884D+01
      4  -0.551926D+01  0.372779D+02 -0.154804D+01  0.490167D+01 -0.286112D+02
      5  -0.765474D+01 -0.343668D+01  0.113691D+02 -0.326634D+01 -0.115493D+02
      6  -0.685067D+01 -0.533471D+00  0.104543D+02 -0.716861D+01 -0.913893D+01
               186           187           188           189           190 
      1   0.418634D+01  0.474682D+01 -0.722151D+01 -0.453271D+00  0.104020D+03
      2  -0.522040D+01 -0.126106D+02 -0.150546D+01 -0.719584D+01 -0.559225D+02
      3   0.103405D+01  0.786375D+01  0.872697D+01  0.764911D+01 -0.480978D+02
      4  -0.103593D+02 -0.114479D+02 -0.104050D+02  0.208603D+02  0.198889D+01
      5   0.593908D+01  0.296482D+02  0.180483D+02  0.113719D+02 -0.168372D+01
      6   0.139896D+01  0.204031D+02  0.142140D+02  0.599021D+01 -0.264743D+01
               191           192           193           194           195 
      1   0.743104D+01  0.781381D+01  0.691066D+02 -0.364849D+02 -0.380744D+01
      2   0.511594D+01 -0.133126D+01 -0.293188D+02  0.390078D+02  0.985108D+01
      3  -0.125470D+02 -0.648256D+01 -0.397878D+02 -0.252285D+01 -0.604364D+01
      4   0.136801D+02  0.121743D+01 -0.395377D+02  0.548481D+02  0.446913D+01
      5   0.217843D+01  0.520550D+01 -0.965889D+01  0.842111D+01  0.282376D+01
      6   0.556056D-01  0.356268D+01 -0.324477D+01  0.821090D+01 -0.516160D+01
               196           197           198           199           200 
      1   0.131342D+02 -0.108457D+02  0.216399D+02 -0.112689D+03  0.176940D+02
      2  -0.752038D+01  0.984202D+01 -0.188792D+02  0.473547D+02 -0.177710D+02
      3  -0.561387D+01  0.100371D+01 -0.276075D+01  0.653347D+02  0.769688D-01
      4  -0.159394D+02  0.909729D+01  0.283641D+01  0.255927D+02 -0.254315D+02
      5   0.463400D+02  0.837741D+01  0.781463D+01 -0.728511D+01 -0.246435D+01
      6   0.146774D+01  0.652140D+01 -0.292871D+01  0.219697D+01 -0.373573D+01
               201           202           203           204           205 
      1  -0.647536D+01 -0.940800D+02  0.114447D+02 -0.287328D+01 -0.294662D+02
      2   0.206895D+01  0.574076D+02 -0.191345D+02 -0.781319D+00  0.175357D+02
      3   0.440641D+01  0.366725D+02  0.768984D+01  0.365459D+01  0.119306D+02
      4  -0.430279D+00  0.222493D+02 -0.175143D+02  0.396331D+01  0.893053D+01
      5   0.707389D+01 -0.258958D+01  0.231127D+01 -0.109551D+02  0.427484D+01
      6  -0.135709D+01  0.616760D+01 -0.730087D+01  0.722891D+01 -0.145622D+01
               206           207           208           209           210 
      1   0.104419D+02 -0.146544D+02  0.412577D+02  0.582217D+01  0.142148D+01
      2  -0.100075D+02 -0.336432D+01 -0.240000D+02 -0.536510D+01 -0.287315D+01
      3  -0.434427D+00  0.180187D+02 -0.172577D+02 -0.457073D+00  0.145167D+01
      4  -0.883971D-01 -0.167897D+02  0.125743D+02  0.115073D+02 -0.746471D+00
      5  -0.210410D+02 -0.119472D+02  0.781961D+01 -0.138426D+01  0.219607D+02
      6   0.830488D+01 -0.103074D+01  0.461631D+00  0.219869D+01 -0.362668D+01
               211           212           213           214           215 
      1   0.480328D+01  0.872343D+01  0.410975D+01  0.198558D+01  0.223604D+00
      2  -0.296857D+01 -0.321710D+01 -0.520590D+01 -0.341069D+01 -0.215959D+01
      3  -0.183471D+01 -0.550633D+01  0.109616D+01  0.142511D+01  0.193599D+01
      4   0.391861D+02  0.142284D+02  0.676013D+01  0.503390D+01  0.157642D+01
      5   0.670399D+01  0.462210D+01 -0.142993D+02  0.161554D+02  0.469185D+01
      6   0.112146D+01 -0.185821D+01  0.117726D+02  0.125550D+01  0.420435D+01
               216           217           218           219           220 
      1   0.648193D+01 -0.835157D+02 -0.690457D+01 -0.167388D+02 -0.116742D+02
      2  -0.451784D+01  0.481200D+02  0.623730D+00  0.101331D+02  0.342037D+01
      3  -0.196409D+01  0.353957D+02  0.628084D+01  0.660573D+01  0.825383D+01
      4   0.583605D+01 -0.121322D+02  0.255470D+02 -0.402262D+01 -0.113613D+02
      5   0.427516D+01 -0.159244D+02 -0.437612D+01  0.101385D+02 -0.972903D+01
      6   0.301301D+01  0.778000D+00  0.330316D+01 -0.393027D+01 -0.580965D+00
               221           222           223           224           225 
      1   0.145923D+02 -0.157480D+02 -0.121877D+02 -0.107930D+02  0.115464D+02
      2  -0.889248D+01  0.123358D+02  0.353896D+01  0.923052D+01 -0.982266D+01
      3  -0.569978D+01  0.341221D+01  0.864875D+01  0.156251D+01 -0.172378D+01
      4   0.758023D+01 -0.163045D+02 -0.829121D+01 -0.883824D+01  0.389208D+02
      5  -0.158376D+02  0.630487D+02 -0.173757D+02  0.396755D+02  0.305022D+02
      6   0.799293D+01 -0.230562D+02  0.112941D+02 -0.161128D+02 -0.581252D+01
               226           227           228           229           230 
      1  -0.760236D+01  0.173851D+02  0.157828D+01  0.848877D+01 -0.522303D+02
      2   0.881716D+01 -0.194829D+02 -0.147937D+01 -0.906319D+01  0.656823D+02
      3  -0.121480D+01  0.209775D+01 -0.989096D-01  0.574413D+00 -0.134520D+02
      4  -0.232939D+01  0.476273D+01  0.734628D+00  0.311647D+01  0.127595D+02
      5  -0.789674D+00  0.134926D+01  0.111209D+01  0.290465D+00 -0.774077D+00
      6   0.772681D+00 -0.124369D+01 -0.268364D+01 -0.151620D+01  0.780610D+01
               231           232           233           234           235 
      1  -0.741912D+01  0.210927D+00 -0.678213D+01 -0.186953D+01  0.254091D+02
      2   0.707230D+01 -0.799697D+00  0.802084D+01  0.235135D+01 -0.332016D+01
      3   0.346814D+00  0.588769D+00 -0.123871D+01 -0.481824D+00 -0.220889D+02
      4   0.139026D+01 -0.658675D-01  0.264378D+01 -0.645131D+00  0.442440D+02
      5   0.157277D+01  0.222586D+01 -0.315247D+00  0.361434D+00  0.103408D+02
      6   0.877399D+01  0.415287D+00  0.414633D+01  0.187416D+01  0.631208D+01
               236           237           238           239           240 
      1   0.132363D+02  0.409675D+01  0.120204D+02  0.186833D+01  0.628875D+00
      2   0.401503D+01 -0.982418D+00  0.908788D+01  0.214548D+02  0.263418D+01
      3  -0.172513D+02 -0.311433D+01 -0.211082D+02 -0.233232D+02 -0.326306D+01
      4   0.391603D+02  0.982582D+01  0.454339D+02  0.556851D+02  0.122286D+02
      5   0.757124D+01  0.845823D+01  0.941630D+01  0.938613D+01  0.901996D+01
      6   0.551866D+01  0.521926D+01  0.774221D+01  0.964752D+01  0.821245D+01
               241           242           243           244           245 
      1   0.543358D+01  0.171911D+01 -0.482951D+00  0.122100D+02 -0.104471D+02
      2   0.129988D+01  0.330804D+01  0.170926D+01 -0.387804D+01  0.293659D+01
      3  -0.673346D+01 -0.502715D+01 -0.122631D+01 -0.833198D+01  0.751053D+01
      4   0.134103D+02  0.135128D+02  0.629509D+01 -0.180071D+02  0.148039D+02
      5   0.232088D+01  0.453009D+01  0.359503D+01 -0.200051D+01  0.114217D+01
      6   0.946630D+00  0.448243D+01  0.294903D+01  0.370606D+00  0.530802D-01
               246           247           248           249           250 
      1  -0.605557D+00 -0.133039D+02 -0.381959D+01 -0.121221D+01 -0.990113D+00
      2   0.164171D+00  0.391193D+00  0.160936D+02  0.814675D+00  0.387385D-01
      3   0.441386D+00  0.129127D+02 -0.122740D+02  0.397533D+00  0.951374D+00
      4   0.543809D+00  0.261968D+02 -0.391435D+02 -0.411455D+01  0.254665D+01
      5   0.159007D+01  0.357050D+01 -0.660634D+01 -0.552558D+01  0.945487D+00
      6  -0.691683D+00 -0.143467D+01  0.316845D+01  0.486348D+01 -0.193575D+01
               251           252           253           254           255 
      1  -0.191493D+01 -0.164927D+01  0.203792D+03 -0.448479D+01  0.174701D+02
      2   0.251545D+01  0.202814D+01 -0.106992D+03  0.290633D+00 -0.102220D+02
      3  -0.600522D+00 -0.378867D+00 -0.968005D+02  0.419416D+01 -0.724810D+01
      4  -0.547730D+01 -0.752808D+00 -0.219299D+02  0.161642D+02 -0.203698D+01
      5  -0.108772D+00 -0.605845D+00  0.199058D+02 -0.656369D+00  0.200435D+02
      6   0.162148D+01  0.120446D+01 -0.336935D+01  0.763862D+00 -0.262546D+01
               256           257           258           259           260 
      1   0.225031D+02  0.142436D+02  0.267087D+01  0.230031D+02  0.441127D+00
      2  -0.141429D+02 -0.701152D+01 -0.205842D+01 -0.135389D+02 -0.908345D+00
      3  -0.836021D+01 -0.723209D+01 -0.612450D+00 -0.946414D+01  0.467217D+00
      4   0.161842D+02  0.348249D+01  0.310257D+01 -0.275353D+01  0.381001D+01
      5   0.180541D+01  0.331925D+01  0.910743D+00  0.236696D+02 -0.362932D+01
      6   0.490658D+00 -0.454208D+00  0.159210D+01 -0.248671D+01  0.261337D+01
               261           262           263           264           265 
      1   0.156403D+02  0.644518D+01 -0.176184D+01 -0.830405D+01 -0.692888D+01
      2  -0.938169D+01 -0.361474D+01  0.145428D+01  0.310778D+01  0.161856D+01
      3  -0.625866D+01 -0.283044D+01  0.307560D+00  0.519627D+01  0.531032D+01
      4  -0.457903D+01  0.100164D+01 -0.164044D+01  0.367463D+01  0.190283D+02
      5   0.511817D+01 -0.776506D+01  0.260494D+01 -0.297180D+01  0.137360D+02
      6  -0.509757D+00  0.216917D+01 -0.564021D+00  0.228699D+01 -0.470555D+01
               266           267           268           269           270 
      1   0.242392D+01  0.394358D+01 -0.360989D+02  0.939333D+01  0.393367D+01
      2   0.254939D+01  0.378747D+00  0.206875D+02 -0.296445D+01 -0.819408D+01
      3  -0.497332D+01 -0.432233D+01  0.154114D+02 -0.642888D+01  0.426041D+01
      4  -0.199092D+02 -0.154350D+02  0.271637D+02 -0.222663D+02 -0.252649D+02
      5  -0.157269D+02 -0.246477D+02  0.368042D+02 -0.257950D+02 -0.637813D+02
      6   0.633043D+01  0.110350D+02 -0.111985D+02  0.112948D+02  0.172127D+02
               271           272           273           274           275 
      1  -0.544343D+01 -0.450343D+01  0.111360D+02 -0.117052D+02 -0.525148D+01
      2   0.245217D+01  0.430644D+01 -0.545548D+01  0.270396D+01  0.132174D+02
      3   0.299126D+01  0.196998D+00 -0.568051D+01  0.900120D+01 -0.796588D+01
      4   0.504119D+01 -0.786490D+01  0.383251D+01  0.251836D+02 -0.408507D+02
      5   0.478962D+01  0.455036D+01 -0.102723D+02 -0.111691D+02  0.249556D+02
      6  -0.664550D+00 -0.380857D+01  0.570394D+01  0.673195D+01 -0.148049D+02
               276           277           278           279 
      1   0.651067D+01  0.222855D+02  0.249384D+01 -0.793794D+01
      2  -0.764390D+01 -0.986921D+01 -0.476315D+01  0.155107D+01
      3   0.113323D+01 -0.124163D+02  0.226931D+01  0.638687D+01
      4   0.261796D+02 -0.186224D+02  0.269803D+02 -0.270084D+02
      5  -0.292431D+02  0.198607D+02 -0.268030D+02  0.333357D+02
      6   0.146877D+02 -0.905685D+01  0.145436D+02 -0.153448D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Tue Aug 17 00:00:26 2021, MaxMem=  5637144576 cpu:           66079.9 elap:            8285.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.94105 -18.93393 -18.87392 -10.13371 -10.08707
 Alpha  occ. eigenvalues --  -10.07055 -10.04118 -10.04022 -10.03996 -10.03550
 Alpha  occ. eigenvalues --  -10.03125 -10.03106 -10.02858 -10.02811 -10.02684
 Alpha  occ. eigenvalues --  -10.02285 -10.01479  -1.14934  -1.13556  -1.06898
 Alpha  occ. eigenvalues --   -0.95701  -0.91441  -0.87292  -0.85178  -0.82685
 Alpha  occ. eigenvalues --   -0.80240  -0.78025  -0.73566  -0.70727  -0.68915
 Alpha  occ. eigenvalues --   -0.68552  -0.67109  -0.62170  -0.61184  -0.60151
 Alpha  occ. eigenvalues --   -0.58554  -0.55816  -0.55402  -0.54200  -0.53510
 Alpha  occ. eigenvalues --   -0.53174  -0.52079  -0.50683  -0.50517  -0.49729
 Alpha  occ. eigenvalues --   -0.49158  -0.48011  -0.46833  -0.45772  -0.45075
 Alpha  occ. eigenvalues --   -0.44623  -0.43796  -0.42494  -0.42013  -0.40607
 Alpha  occ. eigenvalues --   -0.39857  -0.39033  -0.38339  -0.34162  -0.32313
 Alpha  occ. eigenvalues --   -0.29745
 Alpha virt. eigenvalues --   -0.00462   0.02128   0.02231   0.02745   0.03153
 Alpha virt. eigenvalues --    0.04010   0.04289   0.04404   0.05295   0.05515
 Alpha virt. eigenvalues --    0.05822   0.05917   0.06352   0.07143   0.07609
 Alpha virt. eigenvalues --    0.08110   0.08355   0.09406   0.09778   0.09901
 Alpha virt. eigenvalues --    0.10090   0.10613   0.11395   0.11778   0.12089
 Alpha virt. eigenvalues --    0.12342   0.12445   0.12871   0.13089   0.13478
 Alpha virt. eigenvalues --    0.13702   0.13844   0.14124   0.14313   0.14786
 Alpha virt. eigenvalues --    0.15051   0.15362   0.15884   0.16126   0.16478
 Alpha virt. eigenvalues --    0.16670   0.17083   0.17181   0.17420   0.17658
 Alpha virt. eigenvalues --    0.17997   0.18437   0.18646   0.19119   0.19290
 Alpha virt. eigenvalues --    0.19746   0.20489   0.20813   0.21342   0.21859
 Alpha virt. eigenvalues --    0.22237   0.23061   0.23701   0.23713   0.24001
 Alpha virt. eigenvalues --    0.24265   0.24449   0.24590   0.24857   0.25201
 Alpha virt. eigenvalues --    0.25769   0.26174   0.26782   0.26974   0.27618
 Alpha virt. eigenvalues --    0.27756   0.28026   0.28143   0.28644   0.29099
 Alpha virt. eigenvalues --    0.29503   0.29698   0.30101   0.30162   0.30603
 Alpha virt. eigenvalues --    0.30782   0.31337   0.31882   0.32110   0.32259
 Alpha virt. eigenvalues --    0.32908   0.32919   0.33158   0.33495   0.34043
 Alpha virt. eigenvalues --    0.34259   0.34829   0.35139   0.35335   0.35635
 Alpha virt. eigenvalues --    0.35902   0.36304   0.36545   0.36930   0.37134
 Alpha virt. eigenvalues --    0.37838   0.37856   0.38477   0.38600   0.38852
 Alpha virt. eigenvalues --    0.39405   0.40308   0.40406   0.41240   0.41510
 Alpha virt. eigenvalues --    0.42057   0.42274   0.42621   0.43212   0.43441
 Alpha virt. eigenvalues --    0.43773   0.44283   0.44444   0.44795   0.45270
 Alpha virt. eigenvalues --    0.45786   0.46326   0.46657   0.47305   0.47716
 Alpha virt. eigenvalues --    0.48349   0.48525   0.49414   0.49721   0.50298
 Alpha virt. eigenvalues --    0.50648   0.51687   0.52417   0.52760   0.53129
 Alpha virt. eigenvalues --    0.53425   0.54051   0.54841   0.55251   0.55444
 Alpha virt. eigenvalues --    0.56011   0.56750   0.56991   0.57340   0.57941
 Alpha virt. eigenvalues --    0.58353   0.58727   0.59058   0.59401   0.59569
 Alpha virt. eigenvalues --    0.60091   0.60635   0.60795   0.61744   0.61894
 Alpha virt. eigenvalues --    0.62494   0.63426   0.63616   0.63858   0.64258
 Alpha virt. eigenvalues --    0.64806   0.64859   0.65312   0.65697   0.66034
 Alpha virt. eigenvalues --    0.66091   0.66584   0.67041   0.67817   0.68215
 Alpha virt. eigenvalues --    0.68708   0.68881   0.69211   0.69614   0.69813
 Alpha virt. eigenvalues --    0.70581   0.71186   0.71645   0.71856   0.72130
 Alpha virt. eigenvalues --    0.72965   0.73283   0.73557   0.74094   0.74903
 Alpha virt. eigenvalues --    0.75280   0.76101   0.76353   0.76617   0.77124
 Alpha virt. eigenvalues --    0.77317   0.78498   0.78776   0.79297   0.80031
 Alpha virt. eigenvalues --    0.80148   0.80487   0.80955   0.81340   0.81527
 Alpha virt. eigenvalues --    0.81802   0.82364   0.82738   0.83242   0.83978
 Alpha virt. eigenvalues --    0.84508   0.84838   0.85798   0.86188   0.86590
 Alpha virt. eigenvalues --    0.87153   0.88154   0.88684   0.89037   0.89830
 Alpha virt. eigenvalues --    0.90478   0.90840   0.91458   0.91865   0.92776
 Alpha virt. eigenvalues --    0.93606   0.94148   0.94809   0.96264   0.97075
 Alpha virt. eigenvalues --    0.97665   0.98800   0.99262   0.99992   1.00808
 Alpha virt. eigenvalues --    1.01117   1.03330   1.04650   1.04796   1.05265
 Alpha virt. eigenvalues --    1.06966   1.07265   1.08032   1.08618   1.10270
 Alpha virt. eigenvalues --    1.10653   1.11597   1.12269   1.12988   1.14394
 Alpha virt. eigenvalues --    1.14983   1.16639   1.17840   1.18885   1.20283
 Alpha virt. eigenvalues --    1.21553   1.21771   1.22710   1.23012   1.24215
 Alpha virt. eigenvalues --    1.24902   1.25923   1.26316   1.27330   1.28160
 Alpha virt. eigenvalues --    1.28654   1.29727   1.30717   1.32693   1.33662
 Alpha virt. eigenvalues --    1.34658   1.35238   1.35717   1.37452   1.38573
 Alpha virt. eigenvalues --    1.38722   1.39220   1.40424   1.41645   1.42814
 Alpha virt. eigenvalues --    1.43231   1.44738   1.45657   1.45964   1.46177
 Alpha virt. eigenvalues --    1.47158   1.47805   1.48230   1.48738   1.49206
 Alpha virt. eigenvalues --    1.50505   1.51100   1.51764   1.52449   1.53518
 Alpha virt. eigenvalues --    1.54768   1.55630   1.56350   1.56570   1.56945
 Alpha virt. eigenvalues --    1.58078   1.58955   1.59518   1.59775   1.60886
 Alpha virt. eigenvalues --    1.62157   1.63200   1.63613   1.64120   1.65031
 Alpha virt. eigenvalues --    1.65756   1.66320   1.67214   1.67771   1.67988
 Alpha virt. eigenvalues --    1.68583   1.69506   1.70442   1.71145   1.72459
 Alpha virt. eigenvalues --    1.72794   1.73788   1.74133   1.75489   1.75920
 Alpha virt. eigenvalues --    1.76845   1.77734   1.78570   1.79339   1.80541
 Alpha virt. eigenvalues --    1.81250   1.82119   1.83213   1.83266   1.84742
 Alpha virt. eigenvalues --    1.85641   1.86086   1.88161   1.89022   1.89680
 Alpha virt. eigenvalues --    1.90734   1.91773   1.92174   1.92992   1.93636
 Alpha virt. eigenvalues --    1.94494   1.94798   1.95263   1.96675   1.98205
 Alpha virt. eigenvalues --    1.98546   1.99518   2.00173   2.01237   2.01789
 Alpha virt. eigenvalues --    2.02864   2.03329   2.03655   2.05256   2.06351
 Alpha virt. eigenvalues --    2.06809   2.07261   2.08101   2.09034   2.10025
 Alpha virt. eigenvalues --    2.10232   2.11166   2.12499   2.12758   2.13571
 Alpha virt. eigenvalues --    2.15175   2.15306   2.16380   2.17456   2.18405
 Alpha virt. eigenvalues --    2.19229   2.20866   2.21217   2.22541   2.23115
 Alpha virt. eigenvalues --    2.24158   2.25372   2.26795   2.28351   2.28958
 Alpha virt. eigenvalues --    2.30196   2.31026   2.33815   2.35257   2.35646
 Alpha virt. eigenvalues --    2.36956   2.37782   2.38393   2.39772   2.41188
 Alpha virt. eigenvalues --    2.41906   2.43581   2.45059   2.46392   2.47108
 Alpha virt. eigenvalues --    2.48790   2.51163   2.53716   2.55318   2.56552
 Alpha virt. eigenvalues --    2.57918   2.59411   2.62719   2.64161   2.65805
 Alpha virt. eigenvalues --    2.66474   2.67983   2.68596   2.70552   2.74198
 Alpha virt. eigenvalues --    2.74714   2.76918   2.77854   2.79892   2.83667
 Alpha virt. eigenvalues --    2.84602   2.86468   2.88252   2.92517   2.92737
 Alpha virt. eigenvalues --    2.96845   2.99464   3.03183   3.07792   3.09831
 Alpha virt. eigenvalues --    3.11973   3.22881   3.32246   3.34134   3.38090
 Alpha virt. eigenvalues --    3.40145   3.41863   3.43019   3.43214   3.44760
 Alpha virt. eigenvalues --    3.47423   3.48222   3.50768   3.52650   3.53499
 Alpha virt. eigenvalues --    3.54200   3.56852   3.60507   3.69638   3.72549
 Alpha virt. eigenvalues --    3.74823   3.80588   3.83113   3.90634   4.05016
 Alpha virt. eigenvalues --    4.37961   4.65598
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   32.689013  -3.760700 -10.715709   2.035977  -2.840299   0.655089
     2  C   -3.760700  25.918541   3.114592  -2.401268   1.069792  -7.178873
     3  C  -10.715709   3.114592  33.869335  -9.508841  -2.400531   0.236193
     4  C    2.035977  -2.401268  -9.508841  23.429954  -6.833109   0.005269
     5  C   -2.840299   1.069792  -2.400531  -6.833109  28.450915 -10.695916
     6  C    0.655089  -7.178873   0.236193   0.005269 -10.695916  29.157741
     7  C  -13.758516   1.808964  -5.518783   1.706311  -2.731873   2.751948
     8  H    0.917963  -1.055936  -4.948651   1.313711   0.559675  -0.102235
     9  H    0.014729  -0.416360   0.251407   0.480742  -3.151824   1.796479
    10  H   -0.865265   0.393108  -0.128455  -0.302680   2.657038  -3.837964
    11  C    0.217881  -0.663121  -1.639824  -1.818680  -2.239021   0.003708
    12  C    0.045016   0.084655  -0.377607  -0.282498  -0.120125  -0.105922
    13  C    0.049437  -0.169991  -0.630532  -0.227916  -0.024272  -0.030293
    14  H   -0.095388  -0.079560   0.156524  -0.204395   0.055165   0.115655
    15  H    0.038830  -0.043775  -0.012437  -0.663761  -0.016009   0.017654
    16  H   -0.031153   0.003590   0.310447  -0.402937  -0.038527   0.023543
    17  H   -0.038613   0.030799  -0.106972   0.648309   0.020573  -0.030505
    18  O   -0.010880   0.012770   0.050099   0.006494   0.013185  -0.006079
    19  O   -0.008769   0.013417   0.044506  -0.097835  -0.016255  -0.007487
    20  H    0.030774  -0.077289  -0.010455   0.006828  -0.090632   0.077577
    21  C    4.600462  -7.005882   0.685452  -0.316343   1.270569  -1.735680
    22  C   -6.405746   0.727782  -0.522197   0.369600   0.285355   0.785036
    23  C    2.315284  -5.120852   1.497821  -1.595115   2.826834  -6.947232
    24  O    0.170265   0.101235  -0.009184   0.031768  -0.034534  -0.090032
    25  C   -0.341644   0.058387  -0.015908  -0.002686   0.026528   0.052348
    26  H    1.849232  -0.655655   0.252681   0.029445   0.048881  -0.157381
    27  H   -0.506954   0.282411  -0.137819   0.024533   0.007442   0.048158
    28  H   -0.544121   0.065089   0.018471  -0.067578   0.259511   0.139182
    29  H    0.019381  -0.123168  -0.001162  -0.001895   0.007664   0.015273
    30  H   -0.021527   0.087269  -0.001263   0.004355  -0.016845  -0.002753
    31  H   -0.035275   0.086957   0.000945   0.002691  -0.011093  -0.001595
               7          8          9         10         11         12
     1  C  -13.758516   0.917963   0.014729  -0.865265   0.217881   0.045016
     2  C    1.808964  -1.055936  -0.416360   0.393108  -0.663121   0.084655
     3  C   -5.518783  -4.948651   0.251407  -0.128455  -1.639824  -0.377607
     4  C    1.706311   1.313711   0.480742  -0.302680  -1.818680  -0.282498
     5  C   -2.731873   0.559675  -3.151824   2.657038  -2.239021  -0.120125
     6  C    2.751948  -0.102235   1.796479  -3.837964   0.003708  -0.105922
     7  C   37.947116   0.786358   0.133964  -0.252741  -0.109253   0.017581
     8  H    0.786358   4.825830  -0.038083   0.006836   0.013400   0.131665
     9  H    0.133964  -0.038083   3.668695  -0.357483  -0.055629   0.012790
    10  H   -0.252741   0.006836  -0.357483   3.546645   0.063104   0.007858
    11  C   -0.109253   0.013400  -0.055629   0.063104  14.000367   0.171719
    12  C    0.017581   0.131665   0.012790   0.007858   0.171719   5.095106
    13  C    0.086765   0.141684   0.011919   0.001026  -0.812607  -0.125137
    14  H    0.023400   0.009557  -0.048075   0.008105  -0.965307   0.107812
    15  H    0.019300  -0.076434   0.003481   0.001186   0.758364  -0.008834
    16  H   -0.023710  -0.117574  -0.002526   0.001964  -0.201942   0.442200
    17  H    0.004403   0.035232   0.002777  -0.000777  -0.143272  -0.076850
    18  O   -0.004660  -0.000043  -0.004525   0.000291  -0.075867   0.087394
    19  O   -0.004774  -0.006383  -0.003864   0.000110   0.148226   0.044365
    20  H    0.030998  -0.026266   0.008370  -0.002119   0.033311  -0.032397
    21  C  -16.241328   0.261949   0.015814   0.043184   0.038620  -0.038497
    22  C    6.156736   0.059652  -0.028576   0.221803  -0.018446   0.024608
    23  C   -5.623290  -0.156366  -0.248869   0.977587  -0.216774  -0.013723
    24  O   -0.227325  -0.000049  -0.000225   0.001397   0.000002  -0.000087
    25  C    0.478539   0.000415  -0.000714   0.013668   0.000159   0.000073
    26  H   -4.824292  -0.298818   0.007013  -0.007988   0.038321  -0.010733
    27  H    1.932884  -0.002754  -0.001839   0.007874   0.001077   0.000139
    28  H   -0.131974   0.011460   0.011523  -0.232345  -0.003642  -0.001314
    29  H   -0.000928   0.000247   0.000138  -0.001475  -0.000002  -0.000016
    30  H    0.030107  -0.000521  -0.000478   0.003151   0.000196   0.000041
    31  H    0.035965  -0.000486  -0.000394   0.002785  -0.000025   0.000098
              13         14         15         16         17         18
     1  C    0.049437  -0.095388   0.038830  -0.031153  -0.038613  -0.010880
     2  C   -0.169991  -0.079560  -0.043775   0.003590   0.030799   0.012770
     3  C   -0.630532   0.156524  -0.012437   0.310447  -0.106972   0.050099
     4  C   -0.227916  -0.204395  -0.663761  -0.402937   0.648309   0.006494
     5  C   -0.024272   0.055165  -0.016009  -0.038527   0.020573   0.013185
     6  C   -0.030293   0.115655   0.017654   0.023543  -0.030505  -0.006079
     7  C    0.086765   0.023400   0.019300  -0.023710   0.004403  -0.004660
     8  H    0.141684   0.009557  -0.076434  -0.117574   0.035232  -0.000043
     9  H    0.011919  -0.048075   0.003481  -0.002526   0.002777  -0.004525
    10  H    0.001026   0.008105   0.001186   0.001964  -0.000777   0.000291
    11  C   -0.812607  -0.965307   0.758364  -0.201942  -0.143272  -0.075867
    12  C   -0.125137   0.107812  -0.008834   0.442200  -0.076850   0.087394
    13  C    7.490753   0.066413   0.061168  -0.060202  -0.001005  -0.001154
    14  H    0.066413   2.156878  -0.021481   0.118956  -0.082336   0.064827
    15  H    0.061168  -0.021481   1.856956  -0.233186  -0.469543  -0.000861
    16  H   -0.060202   0.118956  -0.233186   1.650017  -0.483347   0.022915
    17  H   -0.001005  -0.082336  -0.469543  -0.483347   2.009211  -0.003366
    18  O   -0.001154   0.064827  -0.000861   0.022915  -0.003366   8.420754
    19  O   -0.386759   0.037209   0.001525   0.044954  -0.020841  -0.062069
    20  H   -0.012101   0.000970   0.003746  -0.001049  -0.000149   0.007597
    21  C    0.035727  -0.002873  -0.010940  -0.012389   0.003747  -0.000350
    22  C   -0.014927   0.001079   0.004763   0.001130  -0.000877   0.000060
    23  C   -0.072993  -0.015945  -0.008859  -0.001248   0.001817   0.002812
    24  O    0.000057  -0.000044   0.000019   0.000007  -0.000008  -0.000000
    25  C   -0.000205   0.000109   0.000072   0.000004  -0.000021   0.000000
    26  H   -0.002248  -0.002983   0.003947  -0.000224  -0.001088  -0.000126
    27  H    0.000079   0.000109  -0.000289  -0.000025   0.000180   0.000012
    28  H    0.000651  -0.000994  -0.000637  -0.000660   0.000301   0.000015
    29  H   -0.000002  -0.000002   0.000002  -0.000002  -0.000002   0.000000
    30  H   -0.000021   0.000042   0.000017   0.000011  -0.000002  -0.000001
    31  H   -0.000051   0.000019   0.000014   0.000013   0.000001   0.000000
              19         20         21         22         23         24
     1  C   -0.008769   0.030774   4.600462  -6.405746   2.315284   0.170265
     2  C    0.013417  -0.077289  -7.005882   0.727782  -5.120852   0.101235
     3  C    0.044506  -0.010455   0.685452  -0.522197   1.497821  -0.009184
     4  C   -0.097835   0.006828  -0.316343   0.369600  -1.595115   0.031768
     5  C   -0.016255  -0.090632   1.270569   0.285355   2.826834  -0.034534
     6  C   -0.007487   0.077577  -1.735680   0.785036  -6.947232  -0.090032
     7  C   -0.004774   0.030998 -16.241328   6.156736  -5.623290  -0.227325
     8  H   -0.006383  -0.026266   0.261949   0.059652  -0.156366  -0.000049
     9  H   -0.003864   0.008370   0.015814  -0.028576  -0.248869  -0.000225
    10  H    0.000110  -0.002119   0.043184   0.221803   0.977587   0.001397
    11  C    0.148226   0.033311   0.038620  -0.018446  -0.216774   0.000002
    12  C    0.044365  -0.032397  -0.038497   0.024608  -0.013723  -0.000087
    13  C   -0.386759  -0.012101   0.035727  -0.014927  -0.072993   0.000057
    14  H    0.037209   0.000970  -0.002873   0.001079  -0.015945  -0.000044
    15  H    0.001525   0.003746  -0.010940   0.004763  -0.008859   0.000019
    16  H    0.044954  -0.001049  -0.012389   0.001130  -0.001248   0.000007
    17  H   -0.020841  -0.000149   0.003747  -0.000877   0.001817  -0.000008
    18  O   -0.062069   0.007597  -0.000350   0.000060   0.002812  -0.000000
    19  O    8.503400   0.140581  -0.003148   0.001473  -0.000830  -0.000020
    20  H    0.140581   0.751786  -0.004447   0.004038  -0.016256   0.000085
    21  C   -0.003148  -0.004447  29.236757  -7.130298   3.055636  -0.097072
    22  C    0.001473   0.004038  -7.130298  18.047774  -6.614197  -0.858316
    23  C   -0.000830  -0.016256   3.055636  -6.614197  22.415928   0.691700
    24  O   -0.000020   0.000085  -0.097072  -0.858316   0.691700   9.187897
    25  C    0.000023  -0.000009  -0.428423   0.138921  -0.179911   0.171390
    26  H    0.000367   0.000003   2.921607  -0.981579   0.384801  -0.003008
    27  H   -0.000031   0.000018  -3.196777   1.134495  -0.323496  -0.136954
    28  H    0.000028  -0.000565   0.462696   1.273161  -3.056610  -0.198888
    29  H    0.000006  -0.000024   0.011815   0.259422  -0.015118  -0.400459
    30  H   -0.000011   0.000078  -0.038772  -0.092663   0.022459   0.101464
    31  H   -0.000001   0.000009  -0.032987  -0.077302  -0.000316   0.097699
              25         26         27         28         29         30
     1  C   -0.341644   1.849232  -0.506954  -0.544121   0.019381  -0.021527
     2  C    0.058387  -0.655655   0.282411   0.065089  -0.123168   0.087269
     3  C   -0.015908   0.252681  -0.137819   0.018471  -0.001162  -0.001263
     4  C   -0.002686   0.029445   0.024533  -0.067578  -0.001895   0.004355
     5  C    0.026528   0.048881   0.007442   0.259511   0.007664  -0.016845
     6  C    0.052348  -0.157381   0.048158   0.139182   0.015273  -0.002753
     7  C    0.478539  -4.824292   1.932884  -0.131974  -0.000928   0.030107
     8  H    0.000415  -0.298818  -0.002754   0.011460   0.000247  -0.000521
     9  H   -0.000714   0.007013  -0.001839   0.011523   0.000138  -0.000478
    10  H    0.013668  -0.007988   0.007874  -0.232345  -0.001475   0.003151
    11  C    0.000159   0.038321   0.001077  -0.003642  -0.000002   0.000196
    12  C    0.000073  -0.010733   0.000139  -0.001314  -0.000016   0.000041
    13  C   -0.000205  -0.002248   0.000079   0.000651  -0.000002  -0.000021
    14  H    0.000109  -0.002983   0.000109  -0.000994  -0.000002   0.000042
    15  H    0.000072   0.003947  -0.000289  -0.000637   0.000002   0.000017
    16  H    0.000004  -0.000224  -0.000025  -0.000660  -0.000002   0.000011
    17  H   -0.000021  -0.001088   0.000180   0.000301  -0.000002  -0.000002
    18  O    0.000000  -0.000126   0.000012   0.000015   0.000000  -0.000001
    19  O    0.000023   0.000367  -0.000031   0.000028   0.000006  -0.000011
    20  H   -0.000009   0.000003   0.000018  -0.000565  -0.000024   0.000078
    21  C   -0.428423   2.921607  -3.196777   0.462696   0.011815  -0.038772
    22  C    0.138921  -0.981579   1.134495   1.273161   0.259422  -0.092663
    23  C   -0.179911   0.384801  -0.323496  -3.056610  -0.015118   0.022459
    24  O    0.171390  -0.003008  -0.136954  -0.198888  -0.400459   0.101464
    25  C    4.277701  -0.012325   0.052538  -0.044444   0.225491   0.304139
    26  H   -0.012325   3.708484  -0.254237   0.010785   0.000070  -0.001416
    27  H    0.052538  -0.254237   2.978970  -0.048723  -0.010373   0.010509
    28  H   -0.044444   0.010785  -0.048723   4.405686   0.052340  -0.083282
    29  H    0.225491   0.000070  -0.010373   0.052340   2.476000  -0.513066
    30  H    0.304139  -0.001416   0.010509  -0.083282  -0.513066   1.414223
    31  H    0.307511  -0.001369   0.010732  -0.076672  -0.513925  -0.119173
              31
     1  C   -0.035275
     2  C    0.086957
     3  C    0.000945
     4  C    0.002691
     5  C   -0.011093
     6  C   -0.001595
     7  C    0.035965
     8  H   -0.000486
     9  H   -0.000394
    10  H    0.002785
    11  C   -0.000025
    12  C    0.000098
    13  C   -0.000051
    14  H    0.000019
    15  H    0.000014
    16  H    0.000013
    17  H    0.000001
    18  O    0.000000
    19  O   -0.000001
    20  H    0.000009
    21  C   -0.032987
    22  C   -0.077302
    23  C   -0.000316
    24  O    0.097699
    25  C    0.307511
    26  H   -0.001369
    27  H    0.010732
    28  H   -0.076672
    29  H   -0.513925
    30  H   -0.119173
    31  H    1.413924
 Mulliken charges:
               1
     1  C    0.331226
     2  C    0.893071
     3  C    2.197860
     4  C    0.631548
     5  C   -0.298262
     6  C    1.049095
     7  C    1.502108
     8  H   -1.245036
     9  H   -1.060378
    10  H   -0.969428
    11  C   -0.525044
    12  C    0.920621
    13  C    0.626735
    14  H   -0.403444
    15  H   -0.203997
    16  H   -0.009049
    17  H   -0.297776
    18  O   -0.519246
    19  O   -0.361112
    20  H    0.176987
    21  C   -0.347828
    22  C   -0.751765
    23  C    2.035320
    24  O   -0.498778
    25  C    0.918275
    26  H   -1.040166
    27  H   -0.871891
    28  H   -1.218449
    29  H   -0.486228
    30  H   -0.086269
    31  H   -0.088701
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.331226
     2  C    0.893071
     3  C    0.952824
     4  C    0.631548
     5  C   -1.358640
     6  C    0.079667
     7  C    0.461942
    11  C   -0.928488
    12  C    0.409798
    13  C    0.626735
    18  O   -0.519246
    19  O   -0.184125
    21  C   -1.219719
    22  C   -0.751765
    23  C    0.816871
    24  O   -0.498778
    25  C    0.257077
 Electronic spatial extent (au):  <R**2>=           5436.1019
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              5.4278    Y=              0.3107    Z=             -1.9416  Tot=              5.7729
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -114.4792   YY=            -91.3521   ZZ=           -105.6172
   XY=            -13.7609   XZ=             10.3933   YZ=              3.1316
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -10.6630   YY=             12.4641   ZZ=             -1.8010
   XY=            -13.7609   XZ=             10.3933   YZ=              3.1316
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            221.7148  YYY=             -0.1919  ZZZ=              4.3925  XYY=              9.9473
  XXY=             -1.8412  XXZ=            -43.9266  XZZ=              2.5592  YZZ=             -0.3150
  YYZ=              1.4512  XYZ=             -5.0603
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -6330.4914 YYYY=           -783.1103 ZZZZ=           -424.8801 XXXY=           -375.7706
 XXXZ=            198.4372 YYYX=             20.0951 YYYZ=             18.2521 ZZZX=              8.4370
 ZZZY=             -5.2974 XXYY=          -1083.2962 XXZZ=          -1115.3877 YYZZ=           -214.7418
 XXYZ=             27.0619 YYXZ=              7.3438 ZZXY=             -9.3827
 N-N= 1.136408158264D+03 E-N=-4.058890276268D+03  KE= 7.620945539483D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Tue Aug 17 00:00:26 2021, MaxMem=  5637144576 cpu:               3.3 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.14227647D+00 1.25065099D-01-7.66617786D-01
 Polarizability= 2.74091663D+02 6.13465605D+00 1.61835153D+02
                 1.39699954D+01 7.79260517D+00 1.11052563D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -7.8108   -7.8117        4.0043    4.0065
 2      7.8108    7.8117       -4.2568   -4.2568      -65.6884  -65.6905
 3     -4.0043   -4.0065       93.2015   93.2029        4.2557    4.2568
 4      4.2568    4.2568       -0.0000    0.0000       -4.0051   -4.0065
 5    -27.5131  -27.5123        4.0051    4.0065       -7.8112   -7.8117
 6     -4.2557   -4.2568        7.8112    7.8117       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       23.4351   23.4351       12.0195   12.0195
 2     12.7705   12.7705        0.0000    0.0000       12.0195   12.0195
 3     12.7705   12.7705       23.4351   23.4351       -0.0000    0.0000
 4     23.4351   23.4351      -12.7705  -12.7705     -197.0716 -197.0716
 5    -12.0195  -12.0195      279.6086  279.6086       12.7705   12.7705
 6    -82.5370  -82.5370       12.0195   12.0195      -23.4351  -23.4351
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0355    0.0000       31.0805   31.2468      -16.0980  -16.0260
 2    -31.2429  -31.2468       17.0712   17.0273      262.7543  262.7621
 3     16.0990   16.0260     -372.8251 -372.8114      -17.0618  -17.0273
 4    -17.0262  -17.0273        0.0125    0.0000       15.9266   16.0260
 5    110.0377  110.0493      -16.0320  -16.0260       31.3159   31.2468
 6     17.0178   17.0273      -31.2585  -31.2468       -0.0488    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0689    0.0000       46.0473   46.1364      -37.4478  -37.4948
 2    -46.0722  -46.1364      -76.3084  -76.2292      -37.3611  -37.4704
 3     37.5245   37.4948      -39.2039  -39.2643       76.1529   76.2292
 4     76.1497   76.2292        0.0591    0.0000       37.5356   37.4948
 5     76.7215   76.7348      -37.3627  -37.4948       46.0687   46.1364
 6    -76.2055  -76.2292      -46.1888  -46.1364       -0.0458    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     44.1014   44.1590       53.8750   53.9173       56.2815   56.3378
 2    170.9553  171.0427       59.2067   59.1524       56.3452   56.3378
 3    170.9453  171.0427       53.9413   53.9173       89.0627   89.0294
 4     -5.1919   -5.2350     -126.9489 -126.8837      -54.8018  -54.8175
 5     32.7532   32.6916      -76.4546  -76.3762      127.0011  126.8837
 6    131.2208  131.1937      -32.8334  -32.6916        5.2815    5.2350
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.9494   -0.0004    0.0006    0.0009    2.6919    3.8301
 Low frequencies ---   22.5785   40.0282   43.4220
 Diagonal vibrational polarizability:
       54.2745299     157.2293134      89.6418123
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     22.5745                40.0267                43.4213
 Red. masses --      4.6231                 7.2151                 5.8994
 Frc consts  --      0.0014                 0.0068                 0.0066
 IR Inten    --      3.5998                 2.3701                 1.0576
 RamAct Fr= 1--      4.2262                 2.0367                 1.6617
  Dep-P Fr= 1--      0.7490                 0.7318                 0.7445
  Dep-U Fr= 1--      0.8565                 0.8451                 0.8536
 Alpha2 Fr= 1--      0.0001                 0.0006                 0.0002
 Beta2  Fr= 1--      0.6033                 0.2869                 0.2364
 AlphaG Fr= 1--     -0.0003                -0.0073                 0.0067
 Gamma2 Fr= 1--     -2.8841                 2.4501                -2.0681
 Delta2 Fr= 1--     -1.8714                 1.6700                -0.6782
 Raman1 Fr= 1--      16.905                  8.147                  6.647
 ROA1   Fr= 1--    -336.752                288.650               -220.241
 CID1   Fr= 1--     -19.920                 35.431                -33.136
 Raman2 Fr= 1--       7.239                  3.443                  2.837
 ROA2   Fr= 1--     -54.246                 45.442                -44.209
 CID2   Fr= 1--      -7.493                 13.200                -15.585
 Raman3 Fr= 1--      14.479                  6.885                  5.673
 ROA3   Fr= 1--    -336.752                288.650               -220.241
 CID3   Fr= 1--     -23.258                 41.923                -38.821
 RC180  Fr= 1--       0.713                  0.690                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05   0.06    -0.02   0.01  -0.08     0.01  -0.03   0.12
     2   6     0.01  -0.02  -0.05    -0.02   0.01  -0.11     0.01  -0.02   0.08
     3   6    -0.03  -0.07   0.06    -0.02   0.02  -0.08     0.01  -0.03   0.11
     4   6    -0.00  -0.07  -0.02    -0.02   0.02  -0.10     0.01  -0.02   0.07
     5   6     0.03  -0.04  -0.12    -0.02   0.03  -0.17     0.01  -0.02   0.07
     6   6     0.04  -0.02  -0.13    -0.02   0.03  -0.18     0.01  -0.02   0.08
     7   6    -0.05  -0.05   0.15    -0.02  -0.01  -0.01     0.01  -0.03   0.13
     8   1    -0.05  -0.09   0.14    -0.02   0.01  -0.05     0.01  -0.02   0.10
     9   1     0.06  -0.04  -0.19    -0.02   0.04  -0.20     0.01  -0.02   0.06
    10   1     0.07   0.01  -0.21    -0.02   0.04  -0.22     0.01  -0.02   0.06
    11   6    -0.00  -0.09  -0.00    -0.03   0.00  -0.00     0.02  -0.01  -0.02
    12   6    -0.01  -0.15  -0.20    -0.08   0.00   0.06     0.06  -0.00  -0.05
    13   6     0.01   0.09   0.06     0.11  -0.02   0.06    -0.05   0.01  -0.06
    14   1    -0.02  -0.19   0.10    -0.08   0.00   0.02     0.06  -0.01  -0.03
    15   1    -0.02  -0.29  -0.25    -0.15   0.02   0.03     0.13  -0.01  -0.02
    16   1     0.01  -0.04  -0.32    -0.03  -0.01   0.05     0.01  -0.00  -0.04
    17   1    -0.01  -0.16  -0.18    -0.09  -0.01   0.13     0.07   0.01  -0.13
    18   8    -0.03   0.23   0.13     0.19  -0.29   0.15     0.01  -0.21  -0.13
    19   8     0.07   0.08   0.02     0.11   0.32   0.02    -0.20   0.31   0.00
    20   1     0.09  -0.02  -0.03     0.06   0.45  -0.05    -0.21   0.40   0.06
    21   6    -0.05  -0.02   0.14    -0.03  -0.02   0.05     0.01  -0.02   0.07
    22   6    -0.01   0.01   0.03    -0.04  -0.02   0.04     0.02  -0.01  -0.00
    23   6     0.02   0.01  -0.06    -0.03  -0.00  -0.06     0.02  -0.01   0.02
    24   8    -0.01   0.03   0.03    -0.05  -0.05   0.13     0.03   0.01  -0.10
    25   6     0.02   0.06  -0.08    -0.06  -0.06   0.17     0.05   0.03  -0.26
    26   1    -0.08  -0.07   0.23    -0.02  -0.01   0.01     0.00  -0.04   0.17
    27   1    -0.07  -0.02   0.21    -0.03  -0.04   0.11     0.01  -0.02   0.07
    28   1     0.04   0.03  -0.14    -0.03  -0.00  -0.08     0.02  -0.00  -0.03
    29   1     0.02   0.08  -0.07    -0.07  -0.08   0.27     0.06   0.05  -0.35
    30   1     0.04   0.15  -0.12     0.02  -0.05   0.15    -0.04   0.11  -0.28
    31   1     0.05  -0.01  -0.15    -0.14  -0.06   0.13     0.15  -0.04  -0.28
                      4                      5                      6
                      A                      A                      A
 Frequencies --     93.6375               129.7645               139.6709
 Red. masses --      3.9517                 4.2292                 4.4268
 Frc consts  --      0.0204                 0.0420                 0.0509
 IR Inten    --      3.4199                 0.3147                 0.0590
 RamAct Fr= 1--      1.7398                 0.2269                 0.4259
  Dep-P Fr= 1--      0.6853                 0.5917                 0.3370
  Dep-U Fr= 1--      0.8133                 0.7435                 0.5041
 Alpha2 Fr= 1--      0.0020                 0.0007                 0.0039
 Beta2  Fr= 1--      0.2358                 0.0281                 0.0358
 AlphaG Fr= 1--     -0.0054                -0.0076                -0.0190
 Gamma2 Fr= 1--      0.0656                 0.8349                -1.2730
 Delta2 Fr= 1--     -0.3391                 0.5331                -0.4674
 Raman1 Fr= 1--       6.959                  0.907                  1.704
 ROA1   Fr= 1--      -4.552                 97.208               -137.164
 CID1   Fr= 1--      -0.654                107.119                -80.519
 Raman2 Fr= 1--       2.830                  0.337                  0.429
 ROA2   Fr= 1--       4.287                 15.772                -26.812
 CID2   Fr= 1--       1.515                 46.754                -62.440
 Raman3 Fr= 1--       5.660                  0.675                  0.859
 ROA3   Fr= 1--      -4.552                 97.208               -137.164
 CID3   Fr= 1--      -0.804                144.082               -159.716
 RC180  Fr= 1--       0.627                  0.487                  0.008
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02   0.03     0.01  -0.07  -0.12     0.05   0.10  -0.09
     2   6     0.04   0.01  -0.09     0.03  -0.06  -0.10     0.04   0.10  -0.10
     3   6     0.00  -0.04   0.13     0.01  -0.08  -0.08     0.02   0.09  -0.01
     4   6     0.01  -0.03   0.09    -0.01  -0.09   0.00     0.02   0.06   0.09
     5   6     0.03  -0.01  -0.03     0.00  -0.09   0.00     0.03   0.06   0.07
     6   6     0.04   0.01  -0.12     0.02  -0.07  -0.07     0.04   0.09  -0.04
     7   6     0.01  -0.01   0.02    -0.03  -0.04  -0.12     0.09   0.07  -0.09
     8   1    -0.01  -0.05   0.21     0.03  -0.08  -0.10     0.01   0.08  -0.01
     9   1     0.04  -0.00  -0.07     0.00  -0.10   0.05     0.02   0.05   0.14
    10   1     0.05   0.03  -0.22     0.01  -0.07  -0.07     0.04   0.09  -0.06
    11   6     0.01  -0.02   0.06    -0.00   0.00   0.04     0.00  -0.05   0.07
    12   6     0.05  -0.02   0.03     0.12   0.09   0.18    -0.10  -0.14  -0.10
    13   6    -0.08   0.01   0.02    -0.05   0.03   0.02    -0.06  -0.03   0.05
    14   1     0.03  -0.02   0.05    -0.07   0.09  -0.01     0.09  -0.14   0.11
    15   1     0.11  -0.03   0.05     0.18   0.18   0.24    -0.14  -0.24  -0.15
    16   1     0.02  -0.02   0.04     0.13  -0.02   0.29    -0.14  -0.02  -0.20
    17   1     0.06  -0.00  -0.03     0.12   0.19   0.13    -0.10  -0.24  -0.08
    18   8    -0.08   0.01  -0.05    -0.07   0.07  -0.01    -0.06  -0.04  -0.02
    19   8    -0.16   0.04   0.07    -0.09   0.06   0.04    -0.13  -0.04   0.09
    20   1    -0.14   0.02   0.12    -0.08   0.01   0.07    -0.12  -0.02   0.14
    21   6     0.02   0.01  -0.07    -0.04  -0.02  -0.01     0.08   0.02  -0.00
    22   6     0.04   0.02  -0.13    -0.01  -0.01   0.05     0.05  -0.00   0.03
    23   6     0.05   0.03  -0.16     0.04  -0.03  -0.04     0.02   0.05  -0.08
    24   8     0.04   0.03  -0.12    -0.03   0.05   0.21     0.02  -0.11   0.20
    25   6     0.01  -0.03   0.26     0.11   0.15  -0.05    -0.03  -0.11  -0.09
    26   1    -0.00  -0.03   0.09    -0.06  -0.05  -0.16     0.13   0.09  -0.11
    27   1     0.02   0.01  -0.06    -0.07  -0.01   0.02     0.09  -0.00   0.04
    28   1     0.06   0.04  -0.22     0.08  -0.02  -0.01    -0.02   0.04  -0.08
    29   1    -0.01  -0.04   0.40     0.08   0.23   0.04    -0.03  -0.21   0.03
    30   1     0.17  -0.24   0.32     0.19   0.36  -0.15     0.01   0.18  -0.21
    31   1    -0.16   0.16   0.35     0.16  -0.06  -0.23    -0.11  -0.29  -0.31
                      7                      8                      9
                      A                      A                      A
 Frequencies --    185.7135               200.8183               221.2886
 Red. masses --      3.3060                 3.1800                 2.1956
 Frc consts  --      0.0672                 0.0756                 0.0633
 IR Inten    --      1.2762                 1.1281                 3.0200
 RamAct Fr= 1--      0.4698                 7.2105                 1.4552
  Dep-P Fr= 1--      0.2139                 0.3246                 0.7399
  Dep-U Fr= 1--      0.3525                 0.4901                 0.8505
 Alpha2 Fr= 1--      0.0061                 0.0686                 0.0002
 Beta2  Fr= 1--      0.0276                 0.5890                 0.2063
 AlphaG Fr= 1--     -0.0081                 0.0408                -0.0044
 Gamma2 Fr= 1--      1.4515                -0.9928                 0.0583
 Delta2 Fr= 1--      0.1062                -0.5913                 0.3478
 Raman1 Fr= 1--       1.879                 28.842                  5.821
 ROA1   Fr= 1--     142.740               -114.231                 16.729
 CID1   Fr= 1--      75.953                 -3.961                  2.874
 Raman2 Fr= 1--       0.331                  7.067                  2.475
 ROA2   Fr= 1--      33.985                -19.097                 -1.382
 CID2   Fr= 1--     102.610                 -2.702                 -0.558
 Raman3 Fr= 1--       0.662                 14.135                  4.951
 ROA3   Fr= 1--     142.740               -114.231                 16.729
 CID3   Fr= 1--     215.482                 -8.082                  3.379
 RC180  Fr= 1--      -0.295                 -0.020                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01  -0.08     0.02  -0.02  -0.03    -0.02  -0.03   0.08
     2   6     0.00   0.02  -0.10     0.00  -0.04  -0.01    -0.03  -0.03   0.02
     3   6     0.01   0.02  -0.12     0.02   0.05  -0.06    -0.02  -0.00   0.13
     4   6    -0.00  -0.01   0.01    -0.04   0.08  -0.02    -0.02   0.03   0.05
     5   6    -0.03  -0.05   0.22    -0.06   0.07   0.01    -0.05   0.02   0.02
     6   6    -0.02  -0.03   0.11    -0.06   0.01   0.01    -0.05  -0.01   0.03
     7   6    -0.03  -0.01   0.10     0.05  -0.06   0.03    -0.01  -0.01  -0.02
     8   1     0.02   0.03  -0.21     0.08   0.08  -0.07    -0.00  -0.00   0.18
     9   1    -0.06  -0.09   0.44    -0.08   0.08   0.04    -0.07   0.04  -0.00
    10   1    -0.03  -0.04   0.23    -0.13  -0.02   0.03    -0.08  -0.01   0.00
    11   6     0.01   0.01  -0.02    -0.06   0.05   0.00    -0.01   0.06  -0.01
    12   6     0.04   0.02  -0.01    -0.20  -0.01  -0.03     0.05   0.05  -0.11
    13   6     0.02   0.00  -0.02    -0.04   0.01   0.01     0.02   0.02  -0.00
    14   1     0.00   0.02  -0.03    -0.03   0.01   0.02     0.01   0.04   0.00
    15   1     0.07   0.03   0.00    -0.38  -0.07  -0.14     0.07  -0.06  -0.13
    16   1     0.02   0.01   0.00    -0.10   0.07  -0.14     0.08   0.10  -0.17
    17   1     0.04   0.04  -0.05    -0.22  -0.09   0.16     0.05   0.09  -0.12
    18   8     0.03  -0.00  -0.00    -0.03  -0.02   0.01     0.05  -0.06   0.01
    19   8     0.05  -0.01  -0.03    -0.03  -0.01   0.01     0.06  -0.04  -0.02
    20   1     0.04   0.00  -0.05    -0.04   0.02   0.01     0.04   0.01  -0.03
    21   6    -0.04  -0.02   0.18     0.03  -0.09   0.05    -0.00  -0.01  -0.11
    22   6    -0.01   0.02  -0.05     0.04  -0.08  -0.00    -0.02  -0.02  -0.05
    23   6     0.01   0.04  -0.21     0.02  -0.08  -0.01    -0.02  -0.02  -0.06
    24   8    -0.01   0.01  -0.04     0.05   0.02  -0.04    -0.03  -0.00   0.07
    25   6    -0.04  -0.01   0.03     0.25   0.11   0.06     0.05   0.05   0.00
    26   1    -0.05  -0.04   0.23     0.07  -0.05   0.06    -0.00  -0.01  -0.04
    27   1    -0.06  -0.06   0.38     0.04  -0.11   0.10     0.02  -0.00  -0.19
    28   1     0.03   0.07  -0.32     0.02  -0.08  -0.02    -0.01  -0.02  -0.09
    29   1    -0.06  -0.07   0.25     0.22   0.31   0.02    -0.02   0.04   0.47
    30   1     0.15   0.03  -0.02     0.29  -0.01   0.10     0.45   0.30  -0.16
    31   1    -0.22  -0.02  -0.07     0.39   0.12   0.14    -0.21  -0.15  -0.32
                     10                     11                     12
                      A                      A                      A
 Frequencies --    243.4690               259.8337               283.3964
 Red. masses --      1.8273                 1.1420                 2.3750
 Frc consts  --      0.0638                 0.0454                 0.1124
 IR Inten    --      1.8810                 1.2080                 2.1068
 RamAct Fr= 1--      1.0857                 0.3780                 1.1745
  Dep-P Fr= 1--      0.5542                 0.6296                 0.6740
  Dep-U Fr= 1--      0.7132                 0.7727                 0.8053
 Alpha2 Fr= 1--      0.0041                 0.0008                 0.0016
 Beta2  Fr= 1--      0.1291                 0.0487                 0.1576
 AlphaG Fr= 1--     -0.0281                -0.0071                 0.0014
 Gamma2 Fr= 1--      0.9347                -0.2367                 1.2466
 Delta2 Fr= 1--     -0.1926                 0.0390                 0.3556
 Raman1 Fr= 1--       4.343                  1.512                  4.698
 ROA1   Fr= 1--      83.565                -21.470                131.054
 CID1   Fr= 1--      19.243                -14.202                 27.896
 Raman2 Fr= 1--       1.549                  0.584                  1.892
 ROA2   Fr= 1--      23.974                 -5.992                 27.073
 CID2   Fr= 1--      15.481                -10.258                 14.313
 Raman3 Fr= 1--       3.097                  1.168                  3.783
 ROA3   Fr= 1--      83.565                -21.470                131.054
 CID3   Fr= 1--      26.981                -18.378                 34.642
 RC180  Fr= 1--       0.426                  0.545                  0.611
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.04     0.01  -0.01  -0.00    -0.01  -0.02   0.07
     2   6    -0.01  -0.00  -0.05     0.01  -0.01   0.02     0.01   0.00  -0.04
     3   6     0.01   0.01   0.00     0.01  -0.01  -0.03    -0.01  -0.03   0.13
     4   6    -0.01   0.01   0.04     0.01  -0.01  -0.03    -0.00  -0.01   0.03
     5   6    -0.03   0.01   0.02     0.02  -0.01  -0.02    -0.00  -0.02   0.07
     6   6    -0.03   0.00  -0.04     0.01  -0.01   0.01     0.00  -0.01   0.04
     7   6    -0.01  -0.00  -0.02    -0.01  -0.00   0.01    -0.00  -0.00   0.01
     8   1     0.02   0.02   0.01     0.02  -0.01  -0.04    -0.02  -0.04   0.17
     9   1    -0.05   0.02   0.05     0.02  -0.01  -0.03    -0.00  -0.03   0.10
    10   1    -0.04   0.00  -0.06     0.02  -0.01   0.02     0.00  -0.02   0.05
    11   6     0.01   0.05   0.04     0.01   0.01   0.01     0.00  -0.01  -0.05
    12   6     0.13   0.05  -0.12     0.01   0.01   0.02    -0.08  -0.01   0.06
    13   6     0.00   0.02   0.04    -0.00   0.00   0.01     0.02  -0.00  -0.06
    14   1    -0.01   0.03   0.07    -0.03   0.02   0.02     0.02   0.01  -0.08
    15   1     0.10  -0.18  -0.20    -0.40  -0.21  -0.26    -0.37  -0.01  -0.08
    16   1     0.30   0.15  -0.27     0.48   0.10  -0.22     0.14  -0.01  -0.01
    17   1     0.12   0.17  -0.04    -0.06   0.14   0.54    -0.12  -0.01   0.39
    18   8     0.03  -0.07   0.01    -0.00   0.00  -0.02     0.01   0.04  -0.03
    19   8    -0.01  -0.06   0.06    -0.03  -0.00   0.02     0.06   0.05  -0.10
    20   1    -0.02   0.01   0.09    -0.03   0.00   0.05     0.06   0.00  -0.15
    21   6    -0.02  -0.01   0.02    -0.01   0.01   0.01     0.01   0.02  -0.08
    22   6    -0.03  -0.01   0.01     0.00   0.02   0.01     0.01   0.02  -0.05
    23   6    -0.02  -0.01  -0.02     0.01   0.01   0.03     0.02   0.03  -0.13
    24   8    -0.03   0.01   0.02     0.00   0.01  -0.03    -0.01  -0.02   0.12
    25   6    -0.00   0.02   0.01    -0.04  -0.01  -0.01    -0.01  -0.01   0.01
    26   1    -0.02  -0.01  -0.01    -0.02  -0.01   0.00    -0.01  -0.01   0.02
    27   1    -0.02  -0.02   0.05    -0.01   0.02   0.01     0.01   0.03  -0.11
    28   1    -0.02  -0.02   0.01     0.02   0.01   0.02     0.03   0.03  -0.13
    29   1     0.05   0.13  -0.43    -0.05  -0.08   0.17     0.04   0.05  -0.41
    30   1    -0.35  -0.18   0.15     0.09   0.06  -0.06    -0.36  -0.11   0.10
    31   1     0.32   0.14   0.29    -0.19  -0.04  -0.11     0.28   0.05   0.21
                     13                     14                     15
                      A                      A                      A
 Frequencies --    327.1611               356.2157               390.3588
 Red. masses --      4.9297                 4.3577                 5.2102
 Frc consts  --      0.3109                 0.3258                 0.4678
 IR Inten    --      7.2956                 6.8560                 3.0661
 RamAct Fr= 1--     10.6696                 1.8892                 2.0804
  Dep-P Fr= 1--      0.2732                 0.0791                 0.1820
  Dep-U Fr= 1--      0.4291                 0.1466                 0.3079
 Alpha2 Fr= 1--      0.1184                 0.0348                 0.0296
 Beta2  Fr= 1--      0.7631                 0.0462                 0.1068
 AlphaG Fr= 1--     -0.0540                 0.0696                 0.0746
 Gamma2 Fr= 1--     -2.5604                 0.6113                 0.4603
 Delta2 Fr= 1--     -0.2898                 0.0995                 0.2909
 Raman1 Fr= 1--      42.679                  7.557                  8.322
 ROA1   Fr= 1--    -255.075                 61.872                 53.500
 CID1   Fr= 1--      -5.977                  8.187                  6.429
 Raman2 Fr= 1--       9.157                  0.554                  1.281
 ROA2   Fr= 1--     -59.132                 13.876                  8.721
 CID2   Fr= 1--      -6.457                 25.045                  6.806
 Raman3 Fr= 1--      18.315                  1.108                  2.563
 ROA3   Fr= 1--    -255.075                 61.872                 53.500
 CID3   Fr= 1--     -13.927                 55.836                 20.876
 RC180  Fr= 1--      -0.142                 -0.707                 -0.384
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.08   0.01     0.08  -0.15  -0.00     0.06  -0.02  -0.10
     2   6     0.00   0.10   0.02     0.12  -0.12  -0.00     0.03  -0.04  -0.10
     3   6    -0.08  -0.01  -0.02     0.07  -0.08  -0.00     0.05   0.03   0.13
     4   6    -0.09  -0.06  -0.01    -0.03   0.01  -0.02     0.01   0.03   0.26
     5   6     0.01  -0.02  -0.00     0.00  -0.00  -0.01    -0.03   0.03   0.17
     6   6     0.03   0.08   0.01     0.02  -0.07   0.00    -0.00   0.01  -0.21
     7   6     0.04   0.05   0.01     0.00  -0.09  -0.01     0.03  -0.00  -0.13
     8   1    -0.12  -0.03  -0.03     0.16  -0.04   0.02     0.11   0.05   0.13
     9   1     0.09  -0.08   0.00     0.01  -0.01  -0.01    -0.08   0.07   0.22
    10   1     0.08   0.10   0.01    -0.08  -0.11  -0.00    -0.04   0.02  -0.40
    11   6    -0.15  -0.07  -0.07    -0.09   0.14  -0.01     0.02  -0.02   0.02
    12   6     0.14   0.05  -0.01    -0.14   0.14  -0.10    -0.01  -0.04   0.03
    13   6    -0.17  -0.06  -0.03    -0.09   0.05   0.02    -0.03  -0.02  -0.07
    14   1    -0.15   0.01  -0.14    -0.10   0.14  -0.01     0.19  -0.01  -0.06
    15   1     0.16  -0.07  -0.05    -0.04   0.14  -0.05    -0.11  -0.05  -0.02
    16   1     0.43  -0.03  -0.03    -0.30   0.19  -0.10     0.05  -0.03  -0.00
    17   1     0.13   0.38   0.08    -0.12   0.04  -0.25    -0.02  -0.06   0.14
    18   8    -0.17  -0.08   0.23    -0.05  -0.07   0.11    -0.04  -0.00   0.01
    19   8     0.02   0.01  -0.17    -0.02  -0.04  -0.02     0.09   0.05  -0.17
    20   1    -0.01  -0.00  -0.35    -0.05   0.05  -0.05     0.08  -0.00  -0.31
    21   6     0.06   0.01   0.01     0.02   0.07   0.00    -0.02  -0.04   0.11
    22   6     0.08   0.00   0.01     0.09   0.10   0.02    -0.05  -0.04   0.15
    23   6     0.01   0.06   0.02     0.16   0.03   0.01    -0.01  -0.08   0.15
    24   8     0.10  -0.06  -0.00     0.10   0.10   0.04    -0.03   0.07  -0.12
    25   6     0.13  -0.07   0.00    -0.15  -0.02  -0.02    -0.08   0.05  -0.01
    26   1     0.11   0.07   0.03    -0.10  -0.13  -0.02     0.01   0.00  -0.24
    27   1     0.04   0.02   0.01    -0.06   0.14  -0.00     0.00  -0.06   0.12
    28   1    -0.04   0.04   0.01     0.24   0.06   0.02     0.01  -0.07   0.17
    29   1     0.12  -0.04   0.02    -0.10  -0.27  -0.08    -0.09  -0.01   0.14
    30   1     0.15  -0.07   0.00    -0.31   0.04  -0.02     0.03   0.05  -0.03
    31   1     0.14  -0.08   0.00    -0.28   0.04  -0.02    -0.22   0.08  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    413.0827               432.8226               486.7677
 Red. masses --      3.2995                 4.8306                 2.5623
 Frc consts  --      0.3317                 0.5332                 0.3577
 IR Inten    --      0.1190                 2.2460                14.5409
 RamAct Fr= 1--      2.7928                 2.5820                 0.1301
  Dep-P Fr= 1--      0.7497                 0.1500                 0.3941
  Dep-U Fr= 1--      0.8569                 0.2608                 0.5653
 Alpha2 Fr= 1--      0.0000                 0.0399                 0.0010
 Beta2  Fr= 1--      0.3989                 0.1122                 0.0123
 AlphaG Fr= 1--      0.0020                 0.0908                 0.0066
 Gamma2 Fr= 1--     -0.9692                 0.3356                -0.0771
 Delta2 Fr= 1--      0.0746                -0.2035                -0.0461
 Raman1 Fr= 1--      11.171                 10.328                  0.520
 ROA1   Fr= 1--     -90.654                 25.702                 -8.872
 CID1   Fr= 1--      -8.115                  2.489                -17.048
 Raman2 Fr= 1--       4.787                  1.347                  0.147
 ROA2   Fr= 1--     -23.858                  9.682                 -1.481
 CID2   Fr= 1--      -4.984                  7.188                -10.065
 Raman3 Fr= 1--       9.573                  2.694                  0.294
 ROA3   Fr= 1--     -90.654                 25.702                 -8.872
 CID3   Fr= 1--      -9.470                  9.541                -30.156
 RC180  Fr= 1--       0.714                 -0.478                  0.131
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.08     0.09  -0.03   0.02    -0.02  -0.03   0.21
     2   6     0.00   0.00  -0.04     0.02  -0.08   0.05    -0.02  -0.03   0.19
     3   6     0.02   0.03  -0.16     0.12   0.13  -0.05     0.02   0.02  -0.11
     4   6     0.00   0.00   0.03     0.07   0.16  -0.05     0.00  -0.01   0.03
     5   6    -0.02  -0.02   0.14     0.02   0.17  -0.09     0.01  -0.01   0.05
     6   6     0.02   0.03  -0.18    -0.04  -0.01   0.10     0.02   0.02  -0.09
     7   6    -0.03  -0.04   0.23     0.06  -0.03   0.06     0.02   0.02  -0.10
     8   1     0.06   0.07  -0.39     0.24   0.17  -0.02     0.05   0.07  -0.44
     9   1    -0.04  -0.04   0.29    -0.06   0.25  -0.16     0.02  -0.00  -0.04
    10   1     0.04   0.06  -0.35    -0.16  -0.07   0.16     0.07   0.08  -0.40
    11   6     0.00  -0.00   0.00     0.03  -0.11  -0.02     0.00   0.01  -0.00
    12   6     0.00  -0.01   0.00     0.12  -0.12   0.04    -0.00   0.01  -0.00
    13   6    -0.00   0.00  -0.00    -0.06  -0.10  -0.01    -0.00   0.00   0.00
    14   1     0.01  -0.00   0.00     0.15  -0.12  -0.07    -0.00   0.01  -0.00
    15   1    -0.00  -0.00   0.00     0.17  -0.12   0.07    -0.02   0.02  -0.00
    16   1    -0.00  -0.00   0.00     0.23  -0.20   0.09    -0.02   0.01   0.00
    17   1     0.00  -0.01   0.00     0.12   0.04   0.04    -0.00  -0.01   0.00
    18   8    -0.00   0.00  -0.00    -0.10  -0.00   0.11    -0.00  -0.00   0.01
    19   8     0.00  -0.00  -0.00    -0.04   0.03  -0.05    -0.00  -0.01  -0.00
    20   1    -0.01   0.04  -0.01    -0.02  -0.09  -0.11    -0.03   0.09   0.01
    21   6     0.02   0.03  -0.19     0.03  -0.06  -0.04    -0.01  -0.02   0.05
    22   6     0.01   0.01  -0.08    -0.05  -0.05  -0.09    -0.02  -0.02   0.07
    23   6    -0.01  -0.03   0.11     0.03  -0.12  -0.09     0.01   0.01  -0.13
    24   8    -0.01  -0.01   0.05    -0.10   0.09   0.05    -0.01   0.00  -0.01
    25   6    -0.01   0.00   0.00    -0.15   0.11   0.01    -0.01   0.01   0.00
    26   1    -0.05  -0.08   0.44     0.05  -0.05   0.12     0.06   0.09  -0.44
    27   1     0.04   0.05  -0.31     0.11  -0.14  -0.01     0.03   0.00  -0.12
    28   1    -0.04  -0.06   0.33     0.03  -0.11  -0.09     0.05   0.08  -0.49
    29   1    -0.01   0.00   0.01    -0.13   0.04  -0.06    -0.00   0.02  -0.04
    30   1    -0.01   0.05  -0.02    -0.24   0.14   0.01    -0.02  -0.03   0.02
    31   1     0.00  -0.03  -0.03    -0.15   0.12   0.01     0.02   0.03   0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --    492.7943               527.4974               536.9044
 Red. masses --      4.5387                 4.5959                 5.9579
 Frc consts  --      0.6494                 0.7535                 1.0119
 IR Inten    --      6.9562                 9.0823                 0.1917
 RamAct Fr= 1--      1.7870                 7.5325                12.1668
  Dep-P Fr= 1--      0.5250                 0.1595                 0.4083
  Dep-U Fr= 1--      0.6885                 0.2751                 0.5799
 Alpha2 Fr= 1--      0.0078                 0.1137                 0.0875
 Beta2  Fr= 1--      0.2051                 0.3453                 1.1759
 AlphaG Fr= 1--     -0.0174                -0.0595                 0.1006
 Gamma2 Fr= 1--     -0.8078                -0.4938                -0.2047
 Delta2 Fr= 1--     -0.0093                 0.6419                -0.2319
 Raman1 Fr= 1--       7.148                 30.130                 48.667
 ROA1   Fr= 1--     -77.843                -26.866                -27.074
 CID1   Fr= 1--     -10.890                 -0.892                 -0.556
 Raman2 Fr= 1--       2.461                  4.144                 14.110
 ROA2   Fr= 1--     -19.312                -16.986                 -3.058
 CID2   Fr= 1--      -7.848                 -4.099                 -0.217
 Raman3 Fr= 1--       4.922                  8.287                 28.221
 ROA3   Fr= 1--     -77.843                -26.866                -27.074
 CID3   Fr= 1--     -15.817                 -3.242                 -0.959
 RC180  Fr= 1--       0.377                 -0.450                  0.160
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.11  -0.00     0.11  -0.05  -0.01     0.12   0.09   0.04
     2   6    -0.04  -0.09   0.01    -0.03  -0.11   0.02    -0.13  -0.01  -0.02
     3   6    -0.05   0.07  -0.02     0.15   0.00  -0.02     0.06  -0.12  -0.01
     4   6    -0.08   0.11   0.01     0.10   0.03   0.05    -0.03  -0.11  -0.03
     5   6    -0.16   0.12   0.00    -0.00  -0.01  -0.05    -0.25  -0.19  -0.06
     6   6    -0.17  -0.03  -0.04    -0.03  -0.14  -0.00    -0.23  -0.06  -0.04
     7   6    -0.07  -0.11  -0.04    -0.02   0.07   0.02     0.28   0.10   0.05
     8   1     0.07   0.12  -0.03     0.19   0.02  -0.04    -0.07  -0.16  -0.03
     9   1    -0.25   0.19  -0.01    -0.09   0.08  -0.13    -0.29  -0.17  -0.05
    10   1    -0.33  -0.09  -0.10    -0.05  -0.14  -0.03    -0.15  -0.03  -0.03
    11   6    -0.02  -0.10   0.01     0.07   0.04   0.03    -0.02  -0.02   0.01
    12   6     0.10  -0.13   0.05    -0.01   0.00  -0.00     0.00  -0.03   0.01
    13   6     0.05  -0.04   0.00    -0.05  -0.02  -0.01     0.01   0.00   0.01
    14   1     0.02  -0.15   0.04     0.16   0.05  -0.03    -0.07  -0.01   0.03
    15   1     0.18  -0.16   0.08    -0.06   0.01  -0.03     0.02  -0.04   0.01
    16   1     0.21  -0.20   0.09    -0.08   0.05  -0.03     0.00  -0.03   0.00
    17   1     0.10   0.04   0.03    -0.01  -0.11   0.01     0.00  -0.02  -0.01
    18   8     0.03   0.04  -0.08    -0.05  -0.02   0.07     0.01   0.00  -0.03
    19   8     0.03   0.03   0.01    -0.02   0.00  -0.05     0.01   0.00   0.00
    20   1     0.06  -0.06   0.01    -0.02  -0.04  -0.09     0.01   0.02  -0.01
    21   6    -0.02   0.09   0.02     0.00   0.24   0.04     0.28   0.08   0.05
    22   6     0.12   0.12   0.04    -0.12   0.15  -0.03     0.02   0.01   0.01
    23   6     0.04   0.13   0.01    -0.05   0.11   0.00    -0.09   0.04  -0.00
    24   8     0.18   0.01   0.03    -0.16  -0.18  -0.04     0.02   0.09   0.02
    25   6     0.07  -0.09  -0.01     0.12  -0.07   0.00    -0.07   0.09   0.01
    26   1    -0.15  -0.14  -0.09    -0.23  -0.02   0.03     0.33   0.13   0.05
    27   1    -0.20   0.24   0.00    -0.02   0.25   0.09     0.41  -0.03   0.04
    28   1     0.13   0.16  -0.02     0.16   0.19   0.06    -0.08   0.05  -0.01
    29   1     0.09  -0.21  -0.03     0.06   0.28   0.05    -0.05  -0.02  -0.01
    30   1    -0.00  -0.06  -0.01     0.32  -0.16   0.01    -0.13   0.11   0.01
    31   1     0.01  -0.06  -0.01     0.33  -0.17   0.02    -0.13   0.11   0.00
                     22                     23                     24
                      A                      A                      A
 Frequencies --    572.7080               598.4326               625.4411
 Red. masses --      3.2783                 1.1686                 3.8487
 Frc consts  --      0.6335                 0.2466                 0.8870
 IR Inten    --      2.9584                45.7050                 4.1531
 RamAct Fr= 1--      2.0064                 1.2672                 1.1453
  Dep-P Fr= 1--      0.5212                 0.6783                 0.7438
  Dep-U Fr= 1--      0.6852                 0.8083                 0.8531
 Alpha2 Fr= 1--      0.0089                 0.0016                 0.0001
 Beta2  Fr= 1--      0.2291                 0.1707                 0.1628
 AlphaG Fr= 1--     -0.0537                -0.0926                -0.0005
 Gamma2 Fr= 1--      0.8029                -1.2657                 1.0388
 Delta2 Fr= 1--     -0.4684                 0.4036                 0.5634
 Raman1 Fr= 1--       8.026                  5.069                  4.581
 ROA1   Fr= 1--      62.092               -108.591                117.758
 CID1   Fr= 1--       7.737                -21.424                 25.704
 Raman2 Fr= 1--       2.750                  2.049                  1.954
 ROA2   Fr= 1--      23.017                -33.606                 20.425
 CID2   Fr= 1--       8.371                -16.405                 10.452
 Raman3 Fr= 1--       5.499                  4.097                  3.908
 ROA3   Fr= 1--      62.092               -108.591                117.758
 CID3   Fr= 1--      11.291                -26.504                 30.130
 RC180  Fr= 1--       0.370                  0.617                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.03  -0.09     0.01  -0.01   0.01    -0.06   0.02  -0.05
     2   6    -0.02  -0.00   0.15     0.01   0.00  -0.04    -0.11  -0.01   0.06
     3   6    -0.01  -0.00  -0.07     0.00   0.00   0.02    -0.05   0.08   0.04
     4   6    -0.03  -0.06   0.19     0.01   0.01  -0.04     0.08  -0.00   0.08
     5   6     0.01  -0.01  -0.10     0.00   0.01   0.00     0.01  -0.05   0.02
     6   6     0.00   0.00   0.06    -0.00  -0.00   0.00    -0.01  -0.09  -0.04
     7   6    -0.01  -0.01  -0.00    -0.00  -0.00   0.01     0.01  -0.05  -0.07
     8   1    -0.03   0.01  -0.23     0.02   0.01   0.02    -0.09   0.07  -0.09
     9   1     0.07   0.04  -0.44    -0.01  -0.00   0.08    -0.06   0.05  -0.16
    10   1     0.06   0.06  -0.16    -0.02  -0.02   0.09     0.07  -0.03  -0.25
    11   6    -0.01   0.03   0.16     0.00  -0.02  -0.01     0.13   0.02  -0.16
    12   6    -0.00  -0.02   0.02     0.01  -0.03   0.01    -0.00   0.04  -0.03
    13   6    -0.05   0.06   0.03    -0.01   0.02   0.00     0.07  -0.04  -0.11
    14   1     0.02   0.02   0.16    -0.01  -0.04   0.02     0.23   0.06  -0.25
    15   1     0.01  -0.14  -0.00     0.01   0.01   0.03    -0.18   0.24  -0.05
    16   1    -0.07   0.10  -0.07     0.02  -0.05   0.04    -0.04  -0.02   0.04
    17   1     0.00  -0.09  -0.02     0.01  -0.01   0.02    -0.02  -0.11   0.12
    18   8    -0.03  -0.02  -0.10    -0.01   0.02   0.01     0.06   0.04   0.18
    19   8     0.11  -0.01  -0.07     0.01  -0.07  -0.01    -0.14  -0.04   0.00
    20   1    -0.03   0.40  -0.24    -0.24   0.95   0.04    -0.14   0.20   0.32
    21   6    -0.02  -0.04   0.02     0.00   0.01  -0.01     0.00  -0.05   0.04
    22   6     0.04   0.02  -0.18    -0.01  -0.00   0.04     0.06   0.02  -0.14
    23   6     0.00  -0.00  -0.01    -0.00   0.00   0.00    -0.08   0.05   0.02
    24   8     0.02   0.01   0.06    -0.01  -0.00  -0.01     0.07   0.04   0.05
    25   6    -0.01   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    26   1    -0.01  -0.04   0.25    -0.00   0.00  -0.04     0.03  -0.07   0.12
    27   1    -0.06  -0.09   0.35     0.01   0.02  -0.08    -0.08  -0.07   0.36
    28   1    -0.05  -0.05   0.13     0.01   0.01  -0.02    -0.16  -0.01   0.20
    29   1     0.01  -0.04  -0.03    -0.00   0.01   0.01     0.02  -0.10  -0.02
    30   1    -0.06   0.04  -0.00     0.01  -0.01   0.00    -0.07   0.05  -0.00
    31   1    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.04   0.01  -0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --    648.9237               687.0249               714.5751
 Red. masses --      3.9163                 4.9638                 3.6986
 Frc consts  --      0.9717                 1.3804                 1.1127
 IR Inten    --      3.6854                 3.8769                 8.1926
 RamAct Fr= 1--      0.2658                 0.5630                 2.8834
  Dep-P Fr= 1--      0.5921                 0.2474                 0.1914
  Dep-U Fr= 1--      0.7438                 0.3966                 0.3213
 Alpha2 Fr= 1--      0.0008                 0.0067                 0.0401
 Beta2  Fr= 1--      0.0329                 0.0372                 0.1544
 AlphaG Fr= 1--     -0.0141                 0.0129                 0.0252
 Gamma2 Fr= 1--      0.6958                -0.3087                -1.5402
 Delta2 Fr= 1--      0.1599                -0.3433                -0.2425
 Raman1 Fr= 1--       1.063                  2.252                 11.534
 ROA1   Fr= 1--      71.916                -40.625               -155.624
 CID1   Fr= 1--      67.650                -18.038                -13.493
 Raman2 Fr= 1--       0.395                  0.447                  1.853
 ROA2   Fr= 1--      15.421                 -4.663                -35.025
 CID2   Fr= 1--      39.006                -10.441                -18.906
 Raman3 Fr= 1--       0.791                  0.893                  3.705
 ROA3   Fr= 1--      71.916                -40.625               -155.624
 CID3   Fr= 1--      90.953                -45.477                -42.001
 RC180  Fr= 1--       0.488                 -0.207                 -0.357
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.02  -0.00     0.07   0.05  -0.05    -0.00  -0.03  -0.13
     2   6    -0.11   0.02  -0.09     0.06   0.04  -0.02     0.02  -0.01   0.00
     3   6    -0.04   0.13  -0.05     0.10  -0.12  -0.06    -0.06   0.00  -0.03
     4   6     0.11   0.01   0.04     0.00  -0.07   0.15    -0.11  -0.03   0.21
     5   6     0.07  -0.06  -0.08    -0.15  -0.02  -0.09     0.06   0.06  -0.02
     6   6     0.03  -0.17   0.04    -0.14   0.14   0.09     0.04   0.00   0.09
     7   6    -0.00  -0.11   0.08    -0.15   0.16   0.10     0.08  -0.13   0.08
     8   1    -0.13   0.09   0.00     0.07  -0.12  -0.16     0.01   0.05  -0.21
     9   1    -0.05   0.02  -0.02    -0.08  -0.00  -0.32     0.17   0.10  -0.48
    10   1     0.09  -0.17   0.26    -0.14   0.15   0.05     0.03   0.03  -0.16
    11   6     0.12   0.08   0.13     0.12   0.04  -0.01    -0.11  -0.07  -0.11
    12   6     0.01   0.01   0.01     0.02  -0.02   0.00    -0.03   0.03  -0.03
    13   6    -0.06   0.01   0.02     0.05  -0.03  -0.08     0.06   0.03  -0.04
    14   1     0.15   0.12   0.07     0.23   0.08  -0.11    -0.08  -0.13  -0.07
    15   1    -0.07  -0.08  -0.05    -0.10   0.03  -0.04     0.01   0.14   0.03
    16   1    -0.14   0.19  -0.12    -0.08   0.04  -0.02     0.12  -0.16   0.11
    17   1     0.01  -0.22   0.01     0.01  -0.22   0.06    -0.04   0.24   0.02
    18   8    -0.06  -0.03   0.01     0.04   0.02   0.09     0.08   0.02   0.00
    19   8     0.02   0.02  -0.06    -0.08  -0.01  -0.05    -0.02  -0.02   0.03
    20   1     0.03  -0.12  -0.19    -0.05   0.02   0.14     0.01   0.00   0.20
    21   6     0.03  -0.05  -0.08    -0.15   0.00  -0.09     0.12   0.04  -0.06
    22   6     0.01  -0.04   0.19    -0.01  -0.06   0.14    -0.03   0.00   0.15
    23   6    -0.11   0.09  -0.04     0.09  -0.11  -0.05     0.00   0.06  -0.04
    24   8     0.08   0.05  -0.01     0.09   0.03  -0.00    -0.09  -0.04  -0.04
    25   6     0.00   0.01  -0.00     0.04  -0.06  -0.01    -0.03   0.04   0.00
    26   1     0.08  -0.05  -0.08    -0.16   0.16   0.06     0.07  -0.15   0.15
    27   1     0.02   0.07  -0.47    -0.08   0.02  -0.33     0.12   0.08  -0.23
    28   1    -0.15   0.10  -0.30     0.07  -0.09  -0.25     0.08   0.12  -0.22
    29   1     0.02  -0.10  -0.01     0.05  -0.16  -0.02    -0.05   0.16   0.02
    30   1    -0.05   0.01   0.00    -0.02  -0.05  -0.01     0.04  -0.00   0.01
    31   1    -0.07   0.06   0.00    -0.03  -0.02  -0.00     0.03   0.02   0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --    750.8870               771.0566               785.8986
 Red. masses --      4.8980                 4.6412                 2.4463
 Frc consts  --      1.6271                 1.6257                 0.8902
 IR Inten    --      3.9005                 6.6843                 1.4835
 RamAct Fr= 1--      1.1214                67.7627                 3.8311
  Dep-P Fr= 1--      0.6951                 0.0672                 0.0821
  Dep-U Fr= 1--      0.8201                 0.1259                 0.1517
 Alpha2 Fr= 1--      0.0011                 1.2846                 0.0701
 Beta2  Fr= 1--      0.1533                 1.4223                 0.0969
 AlphaG Fr= 1--     -0.0387                 0.0878                -0.1377
 Gamma2 Fr= 1--      2.5512                 1.2966                -0.3635
 Delta2 Fr= 1--     -0.3266                 0.2630                 0.0992
 Raman1 Fr= 1--       4.485                271.051                 15.324
 ROA1   Fr= 1--     234.461                132.887                -31.722
 CID1   Fr= 1--      52.272                  0.490                 -2.070
 Raman2 Fr= 1--       1.839                 17.067                  1.163
 ROA2   Fr= 1--      63.841                 29.013                 -9.518
 CID2   Fr= 1--      34.711                  1.700                 -8.186
 Raman3 Fr= 1--       3.678                 34.135                  2.325
 ROA3   Fr= 1--     234.461                132.887                -31.722
 CID3   Fr= 1--      63.739                  3.893                -13.641
 RC180  Fr= 1--       0.640                 -0.748                 -0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.02     0.02   0.12  -0.06     0.03   0.02  -0.19
     2   6    -0.00  -0.01  -0.01    -0.01  -0.12   0.03    -0.03  -0.02   0.21
     3   6     0.01   0.02   0.00    -0.04   0.14   0.05     0.01  -0.03   0.04
     4   6     0.01   0.00  -0.01     0.02   0.03   0.02     0.02   0.02  -0.12
     5   6    -0.00   0.00  -0.01     0.04  -0.04   0.04    -0.02  -0.01   0.08
     6   6    -0.00  -0.02  -0.01     0.04  -0.27  -0.03     0.00   0.05  -0.07
     7   6    -0.01   0.03  -0.00    -0.06   0.28   0.06    -0.00  -0.04   0.02
     8   1     0.01   0.02   0.01    -0.07   0.13   0.02    -0.03  -0.09   0.40
     9   1    -0.03   0.01   0.06    -0.09   0.12  -0.19    -0.01  -0.04   0.16
    10   1    -0.02  -0.03   0.05     0.01  -0.25  -0.28     0.03   0.08  -0.17
    11   6     0.01  -0.01  -0.05    -0.10  -0.07  -0.10     0.03   0.02   0.02
    12   6     0.05  -0.15   0.04    -0.04   0.05  -0.04     0.01  -0.02   0.01
    13   6    -0.12   0.50  -0.02    -0.02  -0.01   0.05    -0.01   0.02   0.00
    14   1    -0.07  -0.26   0.24    -0.10  -0.15  -0.03    -0.00   0.03   0.03
    15   1    -0.09   0.22   0.10     0.03   0.17   0.03    -0.00  -0.04   0.00
    16   1     0.08  -0.39   0.28     0.14  -0.15   0.11    -0.03   0.02  -0.02
    17   1     0.03  -0.16   0.23    -0.05   0.32  -0.01     0.01  -0.08   0.01
    18   8     0.09  -0.12   0.04    -0.03  -0.01  -0.06    -0.01  -0.01   0.01
    19   8    -0.05  -0.09  -0.07     0.07   0.01   0.09    -0.01  -0.00  -0.01
    20   1     0.04  -0.37   0.03     0.03   0.07  -0.03    -0.01   0.01  -0.03
    21   6    -0.01   0.00   0.01    -0.05   0.05  -0.04     0.01   0.01  -0.10
    22   6     0.00  -0.00  -0.02    -0.02  -0.04   0.04    -0.00  -0.01   0.06
    23   6     0.00  -0.01   0.00     0.05  -0.14  -0.03    -0.02   0.02   0.02
    24   8     0.01   0.01   0.00     0.09   0.04   0.01    -0.01  -0.00   0.00
    25   6     0.01  -0.01  -0.00     0.03  -0.05  -0.00    -0.00   0.00   0.00
    26   1    -0.00   0.03  -0.03    -0.04   0.27   0.22    -0.05  -0.11   0.37
    27   1    -0.00  -0.01   0.01     0.10  -0.08   0.02    -0.05  -0.02   0.17
    28   1    -0.00  -0.02   0.04     0.10  -0.10  -0.17     0.05   0.13  -0.65
    29   1     0.01  -0.02  -0.00     0.06  -0.17  -0.03     0.00   0.02  -0.03
    30   1    -0.01  -0.00  -0.00    -0.04  -0.02  -0.00    -0.00  -0.01   0.00
    31   1    -0.01  -0.00  -0.00    -0.04  -0.01  -0.01     0.01   0.01   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --    815.4413               828.5571               837.5278
 Red. masses --      2.9917                 1.4625                 1.8341
 Frc consts  --      1.1721                 0.5915                 0.7580
 IR Inten    --      8.7532                11.8337                12.7552
 RamAct Fr= 1--      4.4199                 0.8102                 0.8875
  Dep-P Fr= 1--      0.5865                 0.5641                 0.6148
  Dep-U Fr= 1--      0.7393                 0.7213                 0.7615
 Alpha2 Fr= 1--      0.0135                 0.0029                 0.0022
 Beta2  Fr= 1--      0.5446                 0.0974                 0.1126
 AlphaG Fr= 1--     -0.0757                 0.0100                 0.0444
 Gamma2 Fr= 1--     -1.1155                 1.0621                 0.9352
 Delta2 Fr= 1--     -0.8922                 0.0181                 0.4319
 Raman1 Fr= 1--      17.680                  3.241                  3.550
 ROA1   Fr= 1--    -135.642                102.543                103.605
 CID1   Fr= 1--      -7.672                 31.642                 29.183
 Raman2 Fr= 1--       6.536                  1.169                  1.352
 ROA2   Fr= 1--     -19.635                 25.347                 18.991
 CID2   Fr= 1--      -3.004                 21.687                 14.050
 Raman3 Fr= 1--      13.071                  2.337                  2.703
 ROA3   Fr= 1--    -135.642                102.543                103.605
 CID3   Fr= 1--     -10.377                 43.869                 38.326
 RC180  Fr= 1--       0.479                  0.443                  0.523
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.03  -0.01    -0.00  -0.02   0.07    -0.03  -0.01   0.07
     2   6    -0.04   0.06  -0.03    -0.01   0.01  -0.02     0.02  -0.00  -0.05
     3   6     0.11  -0.05   0.03     0.02  -0.01   0.01    -0.04   0.01   0.02
     4   6     0.07   0.01  -0.04     0.00  -0.01   0.08    -0.01   0.01  -0.08
     5   6    -0.02  -0.02   0.06     0.01   0.01  -0.08    -0.01  -0.01   0.04
     6   6    -0.04   0.07   0.08     0.00   0.02  -0.04    -0.00  -0.03   0.06
     7   6    -0.02  -0.07  -0.02     0.00   0.00  -0.07     0.02   0.02  -0.08
     8   1     0.17  -0.01  -0.10     0.07   0.05  -0.32    -0.04   0.04  -0.19
     9   1     0.05   0.06  -0.40    -0.04  -0.06   0.31     0.03   0.05  -0.26
    10   1     0.10   0.19  -0.39    -0.05  -0.07   0.47     0.03   0.04  -0.35
    11   6     0.07  -0.01  -0.14     0.00  -0.02  -0.04     0.00   0.03   0.06
    12   6     0.01   0.01  -0.05    -0.01   0.02  -0.02     0.01  -0.03   0.03
    13   6    -0.10   0.01   0.10    -0.01  -0.00   0.01     0.02   0.00  -0.01
    14   1     0.13  -0.10  -0.08     0.05  -0.04  -0.04    -0.08   0.08   0.05
    15   1    -0.15   0.36  -0.02    -0.04   0.12  -0.01     0.05  -0.18   0.00
    16   1     0.02  -0.18   0.14     0.02  -0.06   0.05    -0.05   0.10  -0.08
    17   1    -0.01  -0.02   0.12    -0.01   0.04   0.03     0.03  -0.09  -0.04
    18   8    -0.11  -0.04  -0.05    -0.02  -0.01  -0.01     0.02   0.01   0.02
    19   8     0.11   0.02   0.12     0.03   0.01   0.03    -0.03  -0.00  -0.05
    20   1     0.05   0.02  -0.17     0.02  -0.01  -0.01    -0.02  -0.02   0.01
    21   6    -0.04  -0.04  -0.02     0.00   0.01  -0.07     0.02   0.03  -0.08
    22   6    -0.00  -0.01   0.05    -0.00  -0.01   0.02    -0.01  -0.02   0.12
    23   6    -0.08   0.07  -0.04    -0.02  -0.00   0.05     0.04  -0.01  -0.06
    24   8     0.02   0.02  -0.01     0.01   0.00  -0.00    -0.01  -0.00  -0.03
    25   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00    -0.01   0.01  -0.00
    26   1    -0.08  -0.11   0.06    -0.06  -0.08   0.38    -0.04  -0.07   0.50
    27   1    -0.10   0.01   0.01    -0.07  -0.08   0.44    -0.04  -0.08   0.49
    28   1    -0.20  -0.02   0.27     0.02   0.07  -0.35     0.02  -0.06   0.31
    29   1     0.02  -0.04   0.01     0.01  -0.01  -0.01    -0.01   0.02   0.02
    30   1    -0.01   0.00  -0.00    -0.00  -0.00   0.00     0.01  -0.00  -0.00
    31   1    -0.01   0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --    866.5811               883.6118               922.5125
 Red. masses --      3.1828                 1.8283                 1.5100
 Frc consts  --      1.4083                 0.8410                 0.7571
 IR Inten    --      1.1826                35.6865                12.4049
 RamAct Fr= 1--     29.6922                 1.3515                 0.7259
  Dep-P Fr= 1--      0.1206                 0.6930                 0.7176
  Dep-U Fr= 1--      0.2153                 0.8187                 0.8356
 Alpha2 Fr= 1--      0.4941                 0.0013                 0.0004
 Beta2  Fr= 1--      1.0654                 0.1844                 0.1011
 AlphaG Fr= 1--      0.0995                 0.0491                -0.0108
 Gamma2 Fr= 1--     -0.3193                -0.8029                -0.3645
 Delta2 Fr= 1--     -0.5667                -0.2172                 0.0624
 Raman1 Fr= 1--     118.769                  5.406                  2.904
 ROA1   Fr= 1--     -48.786                -84.028                -32.997
 CID1   Fr= 1--      -0.411                -15.544                -11.364
 Raman2 Fr= 1--      12.784                  2.213                  1.213
 ROA2   Fr= 1--      -3.129                -17.532                 -9.248
 CID2   Fr= 1--      -0.245                 -7.923                 -7.623
 Raman3 Fr= 1--      25.569                  4.426                  2.426
 ROA3   Fr= 1--     -48.786                -84.028                -32.997
 CID3   Fr= 1--      -1.908                -18.986                -13.600
 RC180  Fr= 1--      -0.569                  0.637                  0.671
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.03   0.02     0.00   0.01  -0.05    -0.01  -0.01   0.08
     2   6    -0.10   0.04  -0.00    -0.01  -0.03   0.14     0.01   0.01  -0.02
     3   6     0.19  -0.06  -0.00    -0.01   0.00   0.00     0.01   0.03  -0.17
     4   6     0.02   0.03   0.01    -0.00  -0.01   0.03    -0.00  -0.01   0.06
     5   6     0.06   0.01   0.01     0.00   0.01  -0.06    -0.01  -0.01  -0.00
     6   6     0.04  -0.02   0.01     0.01   0.02  -0.07    -0.01   0.00   0.02
     7   6    -0.03   0.01  -0.01    -0.00  -0.00   0.02     0.00  -0.00  -0.01
     8   1     0.35  -0.01   0.10    -0.02  -0.01   0.04    -0.13  -0.15   0.88
     9   1     0.07   0.01   0.02    -0.06  -0.08   0.45    -0.01  -0.00  -0.01
    10   1     0.16   0.03  -0.00    -0.04  -0.05   0.26     0.00   0.02  -0.08
    11   6    -0.16  -0.05   0.07     0.01  -0.01  -0.01     0.01  -0.02  -0.01
    12   6    -0.08   0.01   0.01    -0.00   0.01  -0.01    -0.01   0.02  -0.02
    13   6     0.06   0.01  -0.04    -0.00  -0.00  -0.00    -0.00   0.00  -0.01
    14   1    -0.17  -0.11   0.14     0.04  -0.02  -0.02     0.07  -0.05  -0.01
    15   1     0.24  -0.23   0.09    -0.02   0.06  -0.01    -0.02   0.10   0.00
    16   1     0.17  -0.05  -0.01     0.00  -0.02   0.02     0.02  -0.04   0.03
    17   1    -0.06   0.44  -0.17    -0.01   0.01   0.02    -0.02   0.05   0.03
    18   8     0.07   0.03   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    19   8    -0.06  -0.01  -0.06     0.01   0.00   0.01     0.01  -0.00   0.01
    20   1    -0.03  -0.00   0.10     0.01  -0.00   0.00    -0.00   0.05   0.02
    21   6    -0.06  -0.04  -0.03     0.00   0.01  -0.02     0.01   0.01  -0.04
    22   6    -0.03  -0.03   0.01    -0.01  -0.01   0.09     0.00  -0.00   0.02
    23   6    -0.18   0.08  -0.03     0.03   0.03  -0.17     0.01  -0.00   0.00
    24   8     0.07   0.06   0.01    -0.00   0.00  -0.02    -0.00  -0.00  -0.01
    25   6     0.04  -0.03  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    26   1    -0.12  -0.03   0.03    -0.00  -0.01   0.04     0.02   0.01  -0.06
    27   1    -0.06  -0.06   0.05     0.00   0.00   0.00    -0.04  -0.05   0.32
    28   1    -0.37  -0.01   0.07    -0.08  -0.14   0.78     0.02  -0.00   0.02
    29   1     0.07  -0.17  -0.02    -0.01   0.00   0.03    -0.01   0.01   0.00
    30   1    -0.04   0.00  -0.00     0.00   0.01  -0.00     0.00  -0.00  -0.00
    31   1    -0.04   0.01  -0.01     0.00  -0.00  -0.01     0.00   0.00   0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --    949.3422               964.6596               971.2346
 Red. masses --      3.5903                 1.3107                 1.3380
 Frc consts  --      1.9064                 0.7186                 0.7436
 IR Inten    --     25.4355                 0.3082                 0.7341
 RamAct Fr= 1--      0.9386                 1.6117                 0.8168
  Dep-P Fr= 1--      0.6979                 0.7500                 0.5390
  Dep-U Fr= 1--      0.8221                 0.8571                 0.7005
 Alpha2 Fr= 1--      0.0009                 0.0000                 0.0033
 Beta2  Fr= 1--      0.1286                 0.2302                 0.0954
 AlphaG Fr= 1--      0.0104                -0.0004                 0.0857
 Gamma2 Fr= 1--      0.4490                -0.0572                 0.8534
 Delta2 Fr= 1--     -0.8387                 0.1134                 0.1613
 Raman1 Fr= 1--       3.754                  6.447                  3.267
 ROA1   Fr= 1--      16.268                 -1.862                 87.091
 CID1   Fr= 1--       4.333                 -0.289                 26.656
 Raman2 Fr= 1--       1.543                  2.763                  1.144
 ROA2   Fr= 1--      17.487                 -2.279                 19.192
 CID2   Fr= 1--      11.332                 -0.825                 16.772
 Raman3 Fr= 1--       3.086                  5.526                  2.289
 ROA3   Fr= 1--      16.268                 -1.862                 87.091
 CID3   Fr= 1--       5.271                 -0.337                 38.055
 RC180  Fr= 1--       0.644                  0.714                  0.401
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06  -0.01    -0.01  -0.01   0.02    -0.00  -0.00  -0.02
     2   6    -0.07  -0.06  -0.02    -0.00  -0.00   0.00    -0.00   0.00  -0.02
     3   6    -0.05  -0.16  -0.05     0.00   0.00  -0.04    -0.01  -0.00   0.02
     4   6    -0.12  -0.03  -0.00    -0.00  -0.00   0.01     0.00  -0.00   0.01
     5   6     0.13   0.22   0.06     0.01   0.01  -0.02     0.02   0.02  -0.11
     6   6     0.04  -0.01  -0.01    -0.00  -0.00   0.02    -0.01  -0.01   0.11
     7   6     0.02   0.06   0.02     0.02   0.02  -0.11    -0.00  -0.01   0.03
     8   1    -0.08  -0.19   0.06    -0.03  -0.03   0.17     0.00   0.01  -0.09
     9   1     0.22   0.17   0.00    -0.01  -0.02   0.15    -0.07  -0.12   0.67
    10   1    -0.18  -0.10   0.04     0.01   0.02  -0.12     0.08   0.13  -0.65
    11   6     0.04   0.05  -0.04     0.00  -0.01   0.00     0.00  -0.01   0.00
    12   6     0.08  -0.03   0.02    -0.00   0.01  -0.00    -0.00   0.01  -0.00
    13   6    -0.01  -0.01  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    14   1    -0.03   0.19  -0.14     0.02  -0.01  -0.00     0.02  -0.01   0.00
    15   1    -0.15   0.01  -0.08    -0.01   0.02  -0.00    -0.01   0.02  -0.00
    16   1    -0.18   0.13  -0.05     0.00  -0.00   0.01    -0.00  -0.00   0.01
    17   1     0.08  -0.45   0.09    -0.00   0.00   0.01    -0.00   0.01   0.00
    18   8    -0.02  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   8     0.02   0.00   0.02     0.00  -0.00   0.00    -0.00   0.00   0.00
    20   1     0.02   0.01   0.02    -0.00   0.01   0.00     0.00  -0.01   0.00
    21   6     0.09   0.15   0.03    -0.01  -0.01   0.10     0.01   0.02  -0.01
    22   6    -0.08  -0.04  -0.01    -0.00   0.00  -0.01    -0.01  -0.00  -0.00
    23   6    -0.14  -0.09  -0.04    -0.00  -0.01  -0.00    -0.01  -0.02   0.01
    24   8     0.06   0.07   0.02     0.00   0.00   0.01     0.00   0.01   0.00
    25   6     0.06  -0.04  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    26   1    -0.14   0.00  -0.06    -0.09  -0.13   0.70    -0.00   0.01  -0.16
    27   1     0.21   0.04   0.09     0.08   0.11  -0.61    -0.01   0.00   0.10
    28   1    -0.28  -0.15  -0.05    -0.00  -0.01  -0.02    -0.01  -0.01  -0.07
    29   1     0.09  -0.22  -0.03     0.00  -0.01  -0.00     0.01  -0.02  -0.00
    30   1    -0.06   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    31   1    -0.06   0.01  -0.01    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    981.2320              1013.8104              1061.6746
 Red. masses --      3.5064                 2.2773                 4.7054
 Frc consts  --      1.9891                 1.3791                 3.1248
 IR Inten    --      0.5744                11.5120                53.9358
 RamAct Fr= 1--     17.5347                 2.4515                 2.5961
  Dep-P Fr= 1--      0.1195                 0.4802                 0.2017
  Dep-U Fr= 1--      0.2135                 0.6488                 0.3357
 Alpha2 Fr= 1--      0.2926                 0.0132                 0.0351
 Beta2  Fr= 1--      0.6239                 0.2651                 0.1452
 AlphaG Fr= 1--     -0.1536                 0.0265                -0.0030
 Gamma2 Fr= 1--     -0.4426                 0.0833                 0.4065
 Delta2 Fr= 1--     -0.0608                -2.4110                 0.2325
 Raman1 Fr= 1--      70.139                  9.806                 10.384
 ROA1   Fr= 1--     -44.438                -69.155                 46.468
 CID1   Fr= 1--      -0.634                 -7.052                  4.475
 Raman2 Fr= 1--       7.487                  3.181                  1.743
 ROA2   Fr= 1--     -10.138                 21.288                  7.897
 CID2   Fr= 1--      -1.354                  6.692                  4.531
 Raman3 Fr= 1--      14.974                  6.362                  3.486
 ROA3   Fr= 1--     -44.438                -69.155                 46.468
 CID3   Fr= 1--      -2.968                -10.869                 13.331
 RC180  Fr= 1--      -0.573                  0.298                 -0.329
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04  -0.01    -0.03   0.00  -0.00     0.02   0.01   0.00
     2   6    -0.03   0.02   0.00    -0.00  -0.02  -0.01     0.05  -0.03  -0.00
     3   6    -0.04   0.14   0.03    -0.03  -0.08  -0.00    -0.02   0.04   0.00
     4   6     0.07  -0.01  -0.01     0.03  -0.03  -0.05    -0.01  -0.01  -0.00
     5   6    -0.02  -0.13  -0.00     0.02   0.10   0.04    -0.01  -0.02  -0.01
     6   6    -0.01   0.13   0.01    -0.03   0.00  -0.01    -0.01   0.03   0.01
     7   6     0.01  -0.12  -0.02     0.00   0.03   0.01     0.08  -0.05   0.00
     8   1    -0.04   0.15  -0.02    -0.16  -0.13  -0.13    -0.05   0.03   0.01
     9   1     0.10  -0.18  -0.15    -0.02   0.16  -0.03     0.06  -0.08  -0.01
    10   1     0.21   0.21   0.16    -0.24  -0.08  -0.04    -0.04   0.02   0.00
    11   6     0.02  -0.06   0.05     0.10  -0.12   0.13    -0.00  -0.02   0.01
    12   6    -0.05   0.05  -0.03    -0.04   0.13  -0.10     0.02   0.02  -0.01
    13   6     0.01   0.01   0.01     0.02  -0.02   0.06     0.01  -0.00   0.01
    14   1     0.03  -0.17   0.15     0.14  -0.44   0.42    -0.06  -0.02   0.03
    15   1     0.04   0.08   0.02    -0.11   0.46  -0.02    -0.06   0.06  -0.03
    16   1     0.07  -0.03   0.03     0.03  -0.10   0.12    -0.06   0.03  -0.00
    17   1    -0.05   0.24  -0.02    -0.06   0.22   0.11     0.01  -0.08   0.03
    18   8     0.01   0.00   0.00     0.01   0.00   0.00     0.00   0.00  -0.00
    19   8    -0.02  -0.00  -0.03    -0.04  -0.01  -0.08    -0.01  -0.00  -0.01
    20   1    -0.02  -0.01  -0.04    -0.05  -0.02  -0.11    -0.01  -0.00  -0.02
    21   6     0.07   0.24   0.05     0.01  -0.02  -0.00    -0.02  -0.12  -0.02
    22   6    -0.07  -0.02  -0.01     0.01   0.00   0.00    -0.18   0.09  -0.01
    23   6    -0.01  -0.23  -0.04     0.00   0.02   0.01     0.02   0.06   0.01
    24   8     0.02   0.05   0.01     0.00  -0.01  -0.00    -0.13   0.29   0.04
    25   6     0.05  -0.05  -0.00    -0.01   0.01   0.00     0.14  -0.32  -0.04
    26   1    -0.35  -0.26  -0.09     0.08   0.06   0.01     0.32   0.04   0.04
    27   1    -0.05   0.33   0.06     0.04  -0.04   0.00     0.22  -0.33  -0.03
    28   1    -0.13  -0.29  -0.06     0.04   0.04   0.01     0.40   0.21   0.09
    29   1     0.07  -0.16  -0.02    -0.01   0.02   0.00     0.10  -0.15  -0.01
    30   1    -0.04  -0.01  -0.00    -0.00   0.01   0.00     0.14  -0.23  -0.05
    31   1    -0.04  -0.01  -0.01    -0.00   0.01   0.00     0.13  -0.23   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1078.8280              1091.2664              1149.9100
 Red. masses --      2.2889                 1.6725                 1.4790
 Frc consts  --      1.5696                 1.1735                 1.1522
 IR Inten    --     13.7734                 5.2937                19.4667
 RamAct Fr= 1--     10.4527                 7.1744                 0.9999
  Dep-P Fr= 1--      0.5618                 0.1572                 0.4970
  Dep-U Fr= 1--      0.7194                 0.2717                 0.6640
 Alpha2 Fr= 1--      0.0373                 0.1089                 0.0050
 Beta2  Fr= 1--      1.2533                 0.3249                 0.1107
 AlphaG Fr= 1--      0.0452                -0.1179                -0.0030
 Gamma2 Fr= 1--     -2.0009                 0.6628                -0.3559
 Delta2 Fr= 1--      0.3744                -0.0869                -1.2326
 Raman1 Fr= 1--      41.811                 28.697                  4.000
 ROA1   Fr= 1--    -180.101                 60.850                -73.616
 CID1   Fr= 1--      -4.308                  2.120                -18.406
 Raman2 Fr= 1--      15.039                  3.899                  1.328
 ROA2   Fr= 1--     -51.016                 16.603                  1.318
 CID2   Fr= 1--      -3.392                  4.259                  0.993
 Raman3 Fr= 1--      30.078                  7.797                  2.656
 ROA3   Fr= 1--    -180.101                 60.850                -73.616
 CID3   Fr= 1--      -5.988                  7.804                -27.719
 RC180  Fr= 1--       0.439                 -0.457                  0.328
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.00    -0.04   0.01  -0.00     0.01  -0.08  -0.01
     2   6     0.01   0.02   0.01     0.01   0.00   0.00     0.02  -0.04  -0.00
     3   6    -0.01   0.01  -0.00    -0.04  -0.08  -0.01    -0.04   0.04   0.00
     4   6    -0.11   0.06   0.00     0.03   0.01  -0.01    -0.04   0.03  -0.01
     5   6    -0.01  -0.06  -0.02     0.01   0.02   0.01     0.01  -0.05  -0.01
     6   6     0.04  -0.03  -0.00     0.00  -0.01  -0.00    -0.02   0.05   0.01
     7   6    -0.01   0.01   0.00     0.00  -0.01  -0.00    -0.06   0.06   0.00
     8   1     0.17   0.08   0.05    -0.22  -0.15  -0.08     0.10   0.10   0.02
     9   1     0.06  -0.14   0.01    -0.01   0.04   0.00     0.22  -0.22  -0.01
    10   1     0.21   0.03   0.03    -0.07  -0.03  -0.02    -0.03   0.04   0.00
    11   6    -0.04   0.20   0.04     0.07   0.13   0.01     0.05  -0.02   0.01
    12   6     0.06  -0.11  -0.10    -0.11  -0.09   0.00    -0.02   0.02   0.01
    13   6     0.05  -0.11   0.07    -0.02   0.00  -0.05    -0.01   0.01  -0.01
    14   1     0.01  -0.08   0.28     0.43   0.01  -0.05     0.15  -0.05  -0.02
    15   1    -0.13   0.48   0.00     0.30  -0.19   0.17     0.04  -0.05   0.01
    16   1     0.08  -0.49   0.29     0.34  -0.27   0.06     0.02   0.05  -0.03
    17   1     0.02  -0.10   0.27    -0.09   0.53  -0.12    -0.01   0.05  -0.04
    18   8     0.01   0.03  -0.00    -0.03  -0.01   0.01    -0.00  -0.00   0.00
    19   8    -0.04   0.01  -0.04     0.03   0.01   0.03     0.01  -0.00   0.01
    20   1    -0.05   0.00  -0.13     0.03   0.01   0.07     0.01  -0.00   0.02
    21   6     0.01   0.00   0.00     0.02   0.01   0.00     0.05  -0.03   0.00
    22   6    -0.00  -0.00  -0.00    -0.01   0.01   0.00    -0.03  -0.00  -0.00
    23   6    -0.01   0.00  -0.00     0.01  -0.02  -0.00    -0.02   0.06   0.01
    24   8     0.00   0.00   0.00    -0.01   0.02   0.00     0.04  -0.03  -0.00
    25   6     0.00   0.00   0.00     0.01  -0.02  -0.00    -0.00   0.04   0.01
    26   1    -0.04  -0.00  -0.00     0.04   0.01   0.01    -0.40  -0.07  -0.06
    27   1     0.06  -0.04   0.00     0.04  -0.01   0.00     0.61  -0.48  -0.01
    28   1    -0.06  -0.02  -0.01     0.02  -0.01  -0.00     0.09   0.11   0.03
    29   1     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.02  -0.08  -0.01
    30   1    -0.01   0.00   0.00     0.01  -0.02  -0.00    -0.04   0.03   0.01
    31   1    -0.00   0.00  -0.00     0.01  -0.02   0.00    -0.04   0.03  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1174.1047              1181.5610              1190.9476
 Red. masses --      1.2767                 1.4243                 1.9536
 Frc consts  --      1.0370                 1.1715                 1.6326
 IR Inten    --      0.8538                 4.4606                32.3966
 RamAct Fr= 1--      0.6328                 1.6345                27.7966
  Dep-P Fr= 1--      0.7498                 0.6779                 0.4531
  Dep-U Fr= 1--      0.8570                 0.8081                 0.6236
 Alpha2 Fr= 1--      0.0000                 0.0021                 0.1683
 Beta2  Fr= 1--      0.0904                 0.2201                 2.8890
 AlphaG Fr= 1--     -0.0025                -0.0045                -0.0362
 Gamma2 Fr= 1--      0.0303                -1.1154               -10.2367
 Delta2 Fr= 1--      0.0119                -1.0776                 0.4478
 Raman1 Fr= 1--       2.531                  6.538                111.186
 ROA1   Fr= 1--       3.286               -141.566               -968.394
 CID1   Fr= 1--       1.298                -21.653                 -8.710
 Raman2 Fr= 1--       1.085                  2.642                 34.669
 ROA2   Fr= 1--       0.631                -18.150               -249.263
 CID2   Fr= 1--       0.582                 -6.871                 -7.190
 Raman3 Fr= 1--       2.169                  5.283                 69.337
 ROA3   Fr= 1--       3.286               -141.566               -968.394
 CID3   Fr= 1--       1.515                -26.796                -13.966
 RC180  Fr= 1--       0.714                  0.616                  0.247
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.03  -0.03  -0.01     0.05   0.03   0.01
     2   6     0.00   0.00  -0.00     0.00   0.07   0.01     0.06   0.06   0.02
     3   6    -0.00   0.00  -0.00    -0.01  -0.06  -0.01    -0.02  -0.01  -0.01
     4   6     0.00   0.00   0.00    -0.04   0.04  -0.01     0.02   0.01   0.03
     5   6     0.00  -0.00   0.00    -0.07   0.01  -0.00     0.01  -0.01  -0.01
     6   6    -0.00  -0.00   0.00     0.07  -0.06  -0.00    -0.02  -0.04  -0.01
     7   6    -0.00  -0.00   0.00    -0.01   0.00  -0.00    -0.04  -0.02  -0.01
     8   1    -0.00  -0.00  -0.00     0.13  -0.01   0.00    -0.23  -0.10   0.00
     9   1     0.00  -0.00  -0.00    -0.55   0.38  -0.00    -0.11   0.08   0.02
    10   1    -0.00  -0.00  -0.00     0.57   0.13   0.10    -0.19  -0.11  -0.04
    11   6    -0.00   0.00  -0.00     0.02  -0.04   0.02     0.01   0.02  -0.11
    12   6    -0.00  -0.00  -0.00     0.00   0.03   0.00    -0.01  -0.01   0.04
    13   6     0.00  -0.00   0.00    -0.01   0.01  -0.02     0.03  -0.00   0.18
    14   1    -0.00   0.00   0.00     0.13  -0.05  -0.03    -0.07   0.02  -0.06
    15   1     0.00   0.00   0.00    -0.02  -0.00  -0.01     0.06  -0.14   0.03
    16   1     0.00  -0.00   0.00    -0.02   0.05  -0.02     0.02   0.10  -0.09
    17   1    -0.00   0.00   0.00     0.00  -0.03  -0.00     0.00   0.07  -0.10
    18   8     0.00   0.00  -0.00    -0.01  -0.00   0.00     0.05   0.02  -0.01
    19   8    -0.00  -0.00   0.00     0.01   0.00   0.00    -0.07  -0.02  -0.04
    20   1    -0.00  -0.00  -0.00     0.03   0.01   0.10    -0.16  -0.02  -0.55
    21   6    -0.00  -0.00   0.00     0.03   0.02   0.01     0.03  -0.01   0.00
    22   6     0.00   0.00   0.00     0.02  -0.02  -0.00     0.05   0.01   0.01
    23   6    -0.00   0.00   0.00     0.04   0.00   0.01    -0.01  -0.00  -0.00
    24   8     0.01   0.01  -0.06    -0.03   0.03   0.00    -0.02   0.03   0.00
    25   6    -0.02  -0.02   0.13     0.00  -0.03  -0.00    -0.03  -0.04  -0.01
    26   1     0.00   0.00  -0.00    -0.17  -0.06  -0.03    -0.34  -0.14  -0.07
    27   1     0.00   0.00  -0.01     0.21  -0.12   0.00     0.13  -0.09  -0.00
    28   1     0.00   0.00  -0.02    -0.09  -0.05  -0.02    -0.33  -0.13  -0.06
    29   1     0.03   0.05  -0.28    -0.02   0.07   0.01    -0.08   0.24   0.03
    30   1    -0.22   0.63  -0.10     0.03  -0.02  -0.01     0.12  -0.05  -0.02
    31   1     0.26  -0.56  -0.25     0.03  -0.02   0.01     0.11  -0.06   0.03
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1196.3352              1198.5238              1222.2210
 Red. masses --      1.6145                 1.7016                 1.7332
 Frc consts  --      1.3614                 1.4402                 1.5254
 IR Inten    --     28.3420                11.5245                17.9334
 RamAct Fr= 1--     69.3075                19.7507                 2.8473
  Dep-P Fr= 1--      0.1744                 0.7463                 0.2688
  Dep-U Fr= 1--      0.2970                 0.8547                 0.4238
 Alpha2 Fr= 1--      1.0065                 0.0012                 0.0320
 Beta2  Fr= 1--      3.4305                 2.8135                 0.2011
 AlphaG Fr= 1--     -0.0555                 0.0074                -0.0383
 Gamma2 Fr= 1--     11.3740                 8.9065                 0.5473
 Delta2 Fr= 1--      1.1678                -0.7270                 0.1302
 Raman1 Fr= 1--     277.230                 79.003                 11.389
 ROA1   Fr= 1--    1129.272                831.758                 56.702
 CID1   Fr= 1--       4.073                 10.528                  4.979
 Raman2 Fr= 1--      41.166                 33.762                  2.413
 ROA2   Fr= 1--     263.633                219.571                 12.093
 CID2   Fr= 1--       6.404                  6.503                  5.011
 Raman3 Fr= 1--      82.333                 67.525                  4.826
 ROA3   Fr= 1--    1129.272                831.758                 56.702
 CID3   Fr= 1--      13.716                 12.318                 11.748
 RC180  Fr= 1--      -0.406                  0.709                 -0.152
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.01    -0.06  -0.03  -0.01    -0.07  -0.04  -0.02
     2   6    -0.02  -0.01  -0.00    -0.06  -0.04  -0.01    -0.11  -0.06  -0.03
     3   6     0.02   0.01   0.00     0.02  -0.01  -0.01     0.03   0.01   0.00
     4   6     0.15  -0.07   0.01    -0.00  -0.02   0.02     0.03  -0.04   0.00
     5   6     0.00   0.05   0.01    -0.02   0.02  -0.00     0.01   0.03   0.01
     6   6    -0.01   0.03   0.00     0.03   0.03   0.01     0.00   0.05   0.01
     7   6    -0.02  -0.04  -0.01     0.03   0.01   0.01     0.00   0.03   0.01
     8   1    -0.45  -0.17  -0.08     0.10   0.02   0.05     0.13   0.04   0.03
     9   1    -0.27   0.26   0.01    -0.10   0.09   0.02     0.08  -0.01   0.01
    10   1     0.01   0.04   0.01     0.32   0.15   0.07     0.19   0.13   0.05
    11   6    -0.10   0.05   0.01     0.04   0.02  -0.08     0.00   0.02  -0.01
    12   6     0.02  -0.04  -0.03    -0.03  -0.01   0.03    -0.01  -0.01  -0.00
    13   6     0.01  -0.02  -0.03     0.02  -0.00   0.13     0.00  -0.01   0.02
    14   1    -0.39   0.14   0.06     0.01   0.01  -0.05    -0.10   0.04   0.02
    15   1    -0.05   0.11  -0.01     0.07  -0.12   0.04     0.02  -0.00   0.01
    16   1    -0.03  -0.13   0.08     0.05   0.06  -0.07     0.03  -0.03   0.00
    17   1     0.01  -0.02   0.08    -0.01   0.09  -0.10    -0.01   0.03  -0.01
    18   8    -0.01   0.00  -0.00     0.03   0.01  -0.01     0.00   0.00  -0.00
    19   8     0.01   0.01   0.00    -0.05  -0.01  -0.03    -0.01  -0.00  -0.00
    20   1     0.03   0.00   0.10    -0.12  -0.01  -0.39    -0.02   0.00  -0.05
    21   6     0.01  -0.01  -0.00    -0.02   0.01  -0.00     0.00   0.01   0.00
    22   6    -0.04   0.00  -0.00    -0.07  -0.01  -0.01     0.01  -0.01  -0.00
    23   6     0.01   0.01   0.00     0.02   0.00   0.00     0.01  -0.03  -0.00
    24   8     0.02  -0.02  -0.00     0.01  -0.04  -0.01     0.09   0.03   0.02
    25   6     0.01   0.03   0.01     0.05   0.06   0.02    -0.13  -0.04  -0.02
    26   1    -0.34  -0.16  -0.07     0.26   0.10   0.05     0.07   0.06   0.02
    27   1     0.22  -0.18  -0.00    -0.03   0.02  -0.00     0.08  -0.05   0.00
    28   1     0.25   0.10   0.05     0.43   0.16   0.08     0.26   0.06   0.04
    29   1     0.04  -0.13  -0.02     0.14  -0.38  -0.05    -0.25   0.59   0.07
    30   1    -0.05   0.02   0.01    -0.19   0.08   0.04     0.38  -0.14  -0.06
    31   1    -0.05   0.03  -0.02    -0.18   0.10  -0.05     0.36  -0.17   0.10
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1251.8686              1297.6251              1302.0309
 Red. masses --      2.3392                 1.9761                 1.7375
 Frc consts  --      2.1599                 1.9605                 1.7355
 IR Inten    --    150.6374                85.2340                19.9386
 RamAct Fr= 1--      4.2535                 9.9077                14.3940
  Dep-P Fr= 1--      0.3079                 0.2959                 0.3590
  Dep-U Fr= 1--      0.4708                 0.4567                 0.5283
 Alpha2 Fr= 1--      0.0426                 0.1029                 0.1227
 Beta2  Fr= 1--      0.3338                 0.7541                 1.2674
 AlphaG Fr= 1--      0.0646                 0.0739                -0.0618
 Gamma2 Fr= 1--     -0.4597                 2.5670                -8.9469
 Delta2 Fr= 1--     -0.7162                 0.5786                -1.0823
 Raman1 Fr= 1--      17.014                 39.631                 57.576
 ROA1   Fr= 1--     -67.051                264.945               -893.535
 CID1   Fr= 1--      -3.941                  6.685                -15.519
 Raman2 Fr= 1--       4.005                  9.049                 15.209
 ROA2   Fr= 1--      -5.304                 56.979               -206.068
 CID2   Fr= 1--      -1.324                  6.297                -13.549
 Raman3 Fr= 1--       8.011                 18.098                 30.419
 ROA3   Fr= 1--     -67.051                264.945               -893.535
 CID3   Fr= 1--      -8.370                 14.639                -29.375
 RC180  Fr= 1--      -0.058                 -0.087                  0.057
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.16   0.10   0.04     0.02  -0.07  -0.01    -0.05   0.11   0.01
     2   6     0.01   0.01   0.00     0.15  -0.03   0.01    -0.01   0.12   0.02
     3   6    -0.04  -0.04  -0.01    -0.05   0.02  -0.00     0.03  -0.04  -0.01
     4   6    -0.09   0.11  -0.01     0.03  -0.01   0.01    -0.03  -0.01   0.01
     5   6     0.01  -0.01   0.00    -0.02  -0.03  -0.01     0.02  -0.01  -0.00
     6   6    -0.00  -0.04  -0.01     0.01   0.04   0.01    -0.00  -0.05  -0.01
     7   6     0.01  -0.06  -0.01    -0.02  -0.01  -0.00    -0.01  -0.07  -0.01
     8   1    -0.46  -0.19  -0.10     0.01   0.04   0.02     0.44   0.11   0.09
     9   1     0.06  -0.06  -0.01    -0.32   0.20   0.00    -0.03   0.03   0.02
    10   1     0.33   0.09   0.06    -0.00   0.03   0.01    -0.31  -0.18  -0.07
    11   6    -0.02  -0.04   0.01     0.03   0.01  -0.02     0.05   0.04  -0.07
    12   6     0.02   0.02   0.01    -0.01  -0.01   0.00    -0.01   0.01   0.04
    13   6    -0.01   0.01   0.01     0.00  -0.01  -0.00     0.00  -0.02  -0.02
    14   1     0.39  -0.13  -0.10    -0.27  -0.01   0.15    -0.25  -0.34   0.44
    15   1    -0.04  -0.02  -0.03     0.02  -0.01   0.02     0.03  -0.12   0.02
    16   1    -0.07   0.08  -0.02     0.03  -0.00  -0.01     0.04   0.09  -0.06
    17   1     0.02  -0.06   0.02    -0.01   0.03  -0.03     0.01  -0.06  -0.10
    18   8     0.01  -0.00  -0.00    -0.02  -0.00   0.00    -0.03  -0.01   0.00
    19   8     0.00  -0.00  -0.00     0.01   0.00  -0.01     0.01   0.01  -0.01
    20   1     0.01  -0.00   0.05     0.02  -0.00   0.09     0.05  -0.00   0.18
    21   6    -0.02  -0.05  -0.01    -0.02   0.01  -0.00     0.02   0.01   0.00
    22   6    -0.12   0.07  -0.00    -0.12   0.11   0.00    -0.07   0.02  -0.00
    23   6    -0.07  -0.05  -0.02    -0.07  -0.01  -0.01     0.03  -0.05  -0.01
    24   8     0.11  -0.03   0.01     0.09  -0.04   0.00     0.03  -0.01   0.00
    25   6    -0.05   0.04   0.00    -0.03   0.04   0.00    -0.01   0.02   0.00
    26   1    -0.09  -0.11  -0.03     0.58   0.22   0.11    -0.13  -0.12  -0.04
    27   1    -0.21   0.09  -0.01     0.13  -0.12  -0.01     0.09  -0.06   0.00
    28   1     0.39   0.12   0.07    -0.44  -0.14  -0.08     0.28   0.05   0.04
    29   1    -0.04   0.04   0.00    -0.01  -0.01  -0.00     0.00  -0.05  -0.01
    30   1     0.14  -0.05  -0.00     0.09  -0.05   0.01     0.05  -0.03   0.00
    31   1     0.14  -0.06   0.02     0.09  -0.04  -0.00     0.05  -0.02  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1305.0618              1328.0274              1342.4154
 Red. masses --      1.5657                 1.7304                 1.7761
 Frc consts  --      1.5712                 1.7981                 1.8858
 IR Inten    --     32.5200               252.5440                12.8637
 RamAct Fr= 1--     10.9958                 1.7045                19.8142
  Dep-P Fr= 1--      0.3708                 0.4180                 0.2593
  Dep-U Fr= 1--      0.5409                 0.5896                 0.4119
 Alpha2 Fr= 1--      0.0901                 0.0118                 0.2287
 Beta2  Fr= 1--      0.9914                 0.1675                 1.3601
 AlphaG Fr= 1--      0.0781                 0.0275                 0.2239
 Gamma2 Fr= 1--      8.0904                -0.6547                 1.0429
 Delta2 Fr= 1--     -1.5796                 0.0754                -2.1030
 Raman1 Fr= 1--      43.983                  6.818                 79.257
 ROA1   Fr= 1--     726.128                -60.437                 32.822
 CID1   Fr= 1--      16.509                 -8.865                  0.414
 Raman2 Fr= 1--      11.896                  2.010                 16.322
 ROA2   Fr= 1--     206.805                -16.316                 41.854
 CID2   Fr= 1--      17.384                 -8.118                  2.564
 Raman3 Fr= 1--      23.793                  4.020                 32.643
 ROA3   Fr= 1--     726.128                -60.437                 32.822
 CID3   Fr= 1--      30.519                -15.035                  1.005
 RC180  Fr= 1--       0.082                  0.179                 -0.176
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.05  -0.00     0.00   0.00   0.00    -0.09  -0.02  -0.01
     2   6    -0.01  -0.08  -0.02    -0.00   0.00   0.00    -0.03   0.01  -0.00
     3   6    -0.02   0.03  -0.00     0.00   0.00  -0.00     0.06  -0.03   0.00
     4   6    -0.02   0.01   0.02    -0.00  -0.00   0.00     0.10   0.05   0.00
     5   6    -0.02   0.02  -0.00    -0.00  -0.00  -0.00     0.00  -0.01  -0.00
     6   6    -0.00   0.02   0.00    -0.00  -0.00  -0.00    -0.01   0.00  -0.00
     7   6     0.01   0.05   0.01     0.00   0.00   0.00    -0.03  -0.02  -0.01
     8   1    -0.35  -0.09  -0.04     0.01   0.01   0.02    -0.16  -0.12  -0.04
     9   1     0.08  -0.06   0.01     0.02  -0.02   0.00     0.11  -0.10  -0.01
    10   1     0.29   0.13   0.06    -0.02  -0.01  -0.00    -0.04  -0.00  -0.01
    11   6     0.06   0.05  -0.09     0.02  -0.01  -0.02    -0.16   0.04  -0.04
    12   6    -0.00   0.00   0.05    -0.01  -0.02  -0.01     0.06   0.01   0.05
    13   6     0.01  -0.02  -0.02     0.02   0.01   0.19     0.01  -0.01   0.03
    14   1    -0.27  -0.43   0.54     0.01   0.24  -0.25     0.56  -0.46   0.09
    15   1     0.02  -0.13   0.02     0.00   0.08   0.03    -0.16  -0.08  -0.09
    16   1     0.01   0.14  -0.09     0.03   0.00  -0.04    -0.18   0.16  -0.03
    17   1     0.02  -0.00  -0.10    -0.01   0.09  -0.03     0.07  -0.10  -0.04
    18   8    -0.04  -0.01   0.00    -0.04  -0.01  -0.03     0.01   0.00  -0.01
    19   8     0.01   0.01  -0.01     0.01   0.01  -0.13    -0.00   0.00  -0.02
    20   1     0.06   0.00   0.20     0.21   0.01   0.87     0.03   0.01   0.13
    21   6    -0.01  -0.02  -0.00    -0.00  -0.00  -0.00    -0.00   0.04   0.01
    22   6     0.07  -0.04   0.00     0.01  -0.01  -0.00     0.01   0.03   0.01
    23   6    -0.01   0.04   0.00     0.00   0.00   0.00     0.05  -0.02   0.00
    24   8    -0.04   0.02  -0.00    -0.01   0.00  -0.00    -0.01  -0.01  -0.00
    25   6     0.01  -0.02  -0.00     0.00  -0.00  -0.00     0.01   0.00   0.00
    26   1    -0.09   0.01  -0.01    -0.03  -0.01  -0.00     0.28   0.10   0.05
    27   1    -0.15   0.10  -0.00    -0.02   0.01   0.00     0.24  -0.16   0.00
    28   1    -0.09   0.01  -0.01    -0.00   0.00   0.00    -0.13  -0.09  -0.03
    29   1     0.00   0.03   0.01     0.00   0.00   0.00     0.01   0.00   0.00
    30   1    -0.05   0.03  -0.01    -0.01  -0.00   0.00    -0.02   0.00   0.01
    31   1    -0.05   0.02   0.00    -0.00  -0.00  -0.00    -0.02   0.00  -0.01
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1385.7297              1407.3526              1412.7108
 Red. masses --      1.8058                 4.8688                 1.2713
 Frc consts  --      2.0431                 5.6817                 1.4948
 IR Inten    --     15.0501                 3.5742                12.5193
 RamAct Fr= 1--     14.0487               674.2276                18.0308
  Dep-P Fr= 1--      0.2048                 0.2280                 0.1953
  Dep-U Fr= 1--      0.3399                 0.3714                 0.3268
 Alpha2 Fr= 1--      0.1884                 8.4913                 0.2479
 Beta2  Fr= 1--      0.7959                41.7310                 0.9822
 AlphaG Fr= 1--     -0.2637                 3.0662                 0.1911
 Gamma2 Fr= 1--      0.4155                 9.2107                -1.5151
 Delta2 Fr= 1--      1.9446                -3.0736                -1.4856
 Raman1 Fr= 1--      56.195               2696.910                 72.123
 ROA1   Fr= 1--     102.115                785.872               -192.992
 CID1   Fr= 1--       1.817                  0.291                 -2.676
 Raman2 Fr= 1--       9.551                500.772                 11.786
 ROA2   Fr= 1--      -5.584                245.645                -24.478
 CID2   Fr= 1--      -0.585                  0.491                 -2.077
 Raman3 Fr= 1--      19.103               1001.544                 23.572
 ROA3   Fr= 1--     102.115                785.872               -192.992
 CID3   Fr= 1--       5.346                  0.785                 -8.187
 RC180  Fr= 1--      -0.320                 -0.257                 -0.346
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.06  -0.01    -0.10   0.28   0.04    -0.02   0.02   0.00
     2   6     0.06  -0.01   0.01     0.08  -0.27  -0.04     0.01  -0.01  -0.00
     3   6    -0.06   0.05   0.00     0.15   0.07   0.03     0.02   0.01   0.00
     4   6     0.02  -0.09  -0.03    -0.09  -0.20  -0.05    -0.02  -0.01  -0.00
     5   6     0.01  -0.04  -0.01    -0.17   0.10  -0.00    -0.04   0.01  -0.00
     6   6     0.06   0.06   0.02     0.16   0.04   0.03     0.03  -0.01   0.00
     7   6     0.05   0.06   0.02    -0.03  -0.07  -0.02     0.01  -0.01  -0.00
     8   1     0.15   0.14   0.04     0.09   0.06   0.02     0.00   0.00  -0.00
     9   1    -0.38   0.26  -0.00     0.07  -0.09  -0.01     0.03  -0.04  -0.00
    10   1    -0.35  -0.10  -0.06     0.13   0.02   0.02    -0.02  -0.03  -0.01
    11   6    -0.07   0.05  -0.01     0.00   0.03  -0.00     0.02  -0.00   0.01
    12   6     0.02   0.01   0.02    -0.02   0.05  -0.00     0.04  -0.12   0.04
    13   6     0.00  -0.00   0.01     0.00  -0.00   0.02    -0.01  -0.00  -0.03
    14   1     0.45  -0.24   0.01     0.36  -0.13  -0.03    -0.02   0.02   0.00
    15   1    -0.05  -0.06  -0.03     0.13  -0.18   0.01    -0.34   0.46   0.02
    16   1    -0.05   0.04   0.00     0.12  -0.10   0.09    -0.24   0.35  -0.32
    17   1     0.02  -0.05  -0.03    -0.02  -0.21   0.04     0.04   0.57  -0.19
    18   8     0.01   0.00  -0.00     0.00   0.00  -0.00     0.01   0.00   0.00
    19   8    -0.00   0.00  -0.01    -0.00  -0.00  -0.01     0.00   0.00   0.01
    20   1     0.01  -0.00   0.04     0.00   0.01   0.01    -0.01  -0.00  -0.04
    21   6     0.02  -0.01  -0.00     0.03  -0.04  -0.00    -0.00   0.00  -0.00
    22   6    -0.04  -0.12  -0.03     0.01   0.11   0.02    -0.01  -0.01  -0.00
    23   6    -0.07   0.06   0.00    -0.05   0.00  -0.01    -0.00   0.01   0.00
    24   8     0.02   0.02   0.01    -0.00  -0.01  -0.00     0.01  -0.00   0.00
    25   6    -0.02   0.00  -0.00     0.01   0.00   0.00    -0.00   0.00   0.00
    26   1    -0.22  -0.04  -0.03    -0.29  -0.18  -0.07    -0.04  -0.03  -0.01
    27   1    -0.30   0.24   0.01     0.06  -0.07  -0.01    -0.01   0.00  -0.00
    28   1     0.16   0.16   0.05    -0.41  -0.14  -0.07    -0.04  -0.00  -0.01
    29   1    -0.02  -0.01  -0.00     0.01   0.04   0.01    -0.00  -0.01  -0.00
    30   1     0.07  -0.02  -0.01    -0.05   0.01   0.01     0.02  -0.01   0.00
    31   1     0.07  -0.02   0.02    -0.05   0.02  -0.02     0.02  -0.01  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1427.1913              1454.1039              1476.8079
 Red. masses --      3.3694                 3.6749                 1.2392
 Frc consts  --      4.0436                 4.5781                 1.5924
 IR Inten    --     75.6317                11.1073                 6.1647
 RamAct Fr= 1--     82.9364               174.6958                12.4988
  Dep-P Fr= 1--      0.1934                 0.2346                 0.5928
  Dep-U Fr= 1--      0.3240                 0.3801                 0.7443
 Alpha2 Fr= 1--      1.1463                 2.1606                 0.0366
 Beta2  Fr= 1--      4.4792                11.0669                 1.5505
 AlphaG Fr= 1--     -0.2152                -0.7241                 0.0246
 Gamma2 Fr= 1--      0.6229                 2.6237                 2.7331
 Delta2 Fr= 1--      9.0162                -0.8047                 0.1184
 Raman1 Fr= 1--     331.746                698.783                 49.995
 ROA1   Fr= 1--     348.314                226.126                266.166
 CID1   Fr= 1--       1.050                  0.324                  5.324
 Raman2 Fr= 1--      53.751                132.803                 18.606
 ROA2   Fr= 1--     -57.181                 69.406                 64.648
 CID2   Fr= 1--      -1.064                  0.523                  3.474
 Raman3 Fr= 1--     107.502                265.605                 37.213
 ROA3   Fr= 1--     348.314                226.126                266.166
 CID3   Fr= 1--       3.240                  0.851                  7.153
 RC180  Fr= 1--      -0.352                 -0.240                  0.489
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.08   0.02    -0.19   0.00  -0.02     0.02  -0.00   0.00
     2   6     0.05  -0.10  -0.01     0.18  -0.01   0.02    -0.00   0.02   0.00
     3   6    -0.10  -0.07  -0.02     0.11  -0.06   0.00     0.02   0.02   0.00
     4   6     0.08   0.02   0.01     0.04   0.19   0.04    -0.03   0.00  -0.00
     5   6     0.13  -0.04   0.01    -0.12  -0.05  -0.02    -0.01  -0.02  -0.00
     6   6    -0.13   0.05  -0.01     0.10  -0.00   0.01     0.04   0.01   0.01
     7   6    -0.15   0.02  -0.01    -0.12   0.02  -0.01    -0.00  -0.03  -0.00
     8   1     0.52   0.16   0.09    -0.32  -0.23  -0.08    -0.10  -0.03  -0.02
     9   1    -0.17   0.21   0.02     0.11  -0.24  -0.03    -0.08   0.04  -0.00
    10   1     0.23   0.21   0.07    -0.13  -0.10  -0.03    -0.14  -0.06  -0.03
    11   6    -0.04   0.01   0.00     0.02  -0.05  -0.01     0.01  -0.00   0.00
    12   6     0.02  -0.03   0.02     0.00   0.02  -0.02    -0.00  -0.00  -0.00
    13   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1     0.04  -0.03   0.00    -0.33   0.12   0.01     0.00  -0.00   0.00
    15   1    -0.13   0.11  -0.02     0.04  -0.07  -0.02     0.03   0.01   0.02
    16   1    -0.05   0.08  -0.07    -0.02  -0.06   0.07    -0.00   0.02  -0.02
    17   1     0.02   0.09  -0.09    -0.01  -0.04   0.06    -0.01   0.00   0.03
    18   8     0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    19   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    20   1     0.01  -0.01   0.03    -0.01   0.01  -0.02     0.00   0.00   0.00
    21   6     0.16  -0.09   0.00     0.16   0.02   0.02    -0.04   0.04   0.00
    22   6     0.13   0.14   0.04     0.00  -0.15  -0.03    -0.01  -0.02  -0.00
    23   6    -0.14  -0.10  -0.03    -0.15   0.03  -0.01    -0.03  -0.01  -0.00
    24   8    -0.06   0.00  -0.01    -0.00   0.04   0.01     0.03  -0.02   0.00
    25   6     0.04  -0.04  -0.00    -0.03  -0.01  -0.00     0.05  -0.08  -0.01
    26   1     0.01   0.10   0.02     0.10   0.13   0.03     0.12   0.02   0.02
    27   1    -0.11   0.14   0.01    -0.11   0.26   0.03     0.11  -0.08  -0.00
    28   1     0.30   0.06   0.05     0.36   0.23   0.09     0.14   0.06   0.03
    29   1    -0.00   0.14   0.02    -0.01  -0.11  -0.02    -0.08   0.56   0.09
    30   1    -0.16   0.14  -0.03     0.14   0.05  -0.05    -0.31   0.40  -0.13
    31   1    -0.17   0.13   0.04     0.12   0.02   0.09    -0.35   0.34   0.18
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1493.4721              1497.9606              1506.0665
 Red. masses --      1.0460                 1.0491                 1.0643
 Frc consts  --      1.3746                 1.3870                 1.4224
 IR Inten    --      8.7972                11.2825                37.1904
 RamAct Fr= 1--      8.5923                 3.4866                 1.1997
  Dep-P Fr= 1--      0.7498                 0.7493                 0.6882
  Dep-U Fr= 1--      0.8570                 0.8567                 0.8153
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0013
 Beta2  Fr= 1--      1.2273                 0.4978                 0.1630
 AlphaG Fr= 1--     -0.0048                -0.0037                -0.0066
 Gamma2 Fr= 1--     -0.0740                 0.5170                -0.6617
 Delta2 Fr= 1--     -0.1484                -1.3413                 0.0481
 Raman1 Fr= 1--      34.369                 13.946                  4.799
 ROA1   Fr= 1--     -11.854                  6.714                -61.983
 CID1   Fr= 1--      -0.345                  0.481                -12.916
 Raman2 Fr= 1--      14.728                  5.974                  1.956
 ROA2   Fr= 1--      -0.589                 23.139                -16.265
 CID2   Fr= 1--      -0.040                  3.873                 -8.314
 Raman3 Fr= 1--      29.456                 11.947                  3.913
 ROA3   Fr= 1--     -11.854                  6.714                -61.983
 CID3   Fr= 1--      -0.402                  0.562                -15.842
 RC180  Fr= 1--       0.714                  0.713                  0.631
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.01   0.01   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     3   6     0.00   0.00  -0.00     0.01   0.00   0.00    -0.01   0.01   0.00
     4   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.02  -0.00
     5   6     0.00  -0.00  -0.00     0.01  -0.01  -0.00     0.00   0.01   0.00
     6   6     0.00   0.00   0.00     0.00   0.01   0.00    -0.02  -0.01  -0.00
     7   6    -0.00  -0.00   0.00    -0.01  -0.00  -0.00    -0.00  -0.01  -0.00
     8   1    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01     0.02   0.02   0.01
     9   1    -0.00   0.00  -0.00    -0.03   0.02   0.00     0.03  -0.00   0.00
    10   1    -0.00  -0.00  -0.00    -0.02  -0.00  -0.00     0.05   0.02   0.01
    11   6     0.00  -0.00   0.00    -0.03  -0.00  -0.01    -0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.03  -0.03  -0.03    -0.00   0.00   0.00
    13   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    14   1    -0.00   0.00  -0.00     0.05  -0.07   0.01     0.03  -0.00  -0.00
    15   1     0.00   0.00   0.00     0.52   0.29   0.35    -0.02   0.03   0.00
    16   1     0.00   0.00  -0.00     0.04   0.32  -0.37     0.05  -0.00  -0.01
    17   1    -0.00  -0.00   0.00    -0.08  -0.16   0.48     0.01  -0.03  -0.05
    18   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    19   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    20   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    21   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.01   0.01  -0.00
    22   6     0.00   0.00  -0.00     0.01  -0.00   0.00     0.01   0.00   0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00   0.00
    24   8     0.00   0.00  -0.01    -0.01   0.00  -0.00    -0.02  -0.01  -0.00
    25   6     0.01   0.01  -0.06    -0.00   0.00   0.00    -0.04  -0.03  -0.01
    26   1     0.00   0.00  -0.00     0.02   0.01   0.00     0.02  -0.00   0.00
    27   1     0.00   0.00  -0.00     0.01  -0.00   0.00     0.03  -0.03  -0.00
    28   1     0.00   0.00  -0.03     0.01   0.00   0.00    -0.04  -0.01  -0.01
    29   1    -0.09  -0.12   0.70     0.01  -0.04  -0.01     0.04  -0.36  -0.06
    30   1    -0.48   0.07   0.02     0.03  -0.02   0.00     0.36   0.48  -0.26
    31   1     0.47  -0.09   0.11     0.03  -0.02  -0.00     0.27   0.35   0.48
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1510.3555              1525.3906              1544.4454
 Red. masses --      1.0532                 2.4071                 3.5186
 Frc consts  --      1.4156                 3.2999                 4.9450
 IR Inten    --      7.2695                46.7227                34.2361
 RamAct Fr= 1--     10.5263               128.2661                 0.8462
  Dep-P Fr= 1--      0.4176                 0.2367                 0.7475
  Dep-U Fr= 1--      0.5892                 0.3827                 0.8555
 Alpha2 Fr= 1--      0.0731                 1.5776                 0.0000
 Beta2  Fr= 1--      1.0336                 8.1823                 0.1207
 AlphaG Fr= 1--      0.1601                 0.2904                -0.0045
 Gamma2 Fr= 1--      2.5087                 2.3707                 1.2033
 Delta2 Fr= 1--      2.7907                -1.7131                -0.2746
 Raman1 Fr= 1--      42.105                513.065                  3.385
 ROA1   Fr= 1--     330.137                172.771                106.729
 CID1   Fr= 1--       7.841                  0.337                 31.533
 Raman2 Fr= 1--      12.404                 98.187                  1.448
 ROA2   Fr= 1--      37.883                 70.603                 31.076
 CID2   Fr= 1--       3.054                  0.719                 21.464
 Raman3 Fr= 1--      24.807                196.375                  2.896
 ROA3   Fr= 1--     330.137                172.771                106.729
 CID3   Fr= 1--      13.308                  0.880                 36.859
 RC180  Fr= 1--       0.178                 -0.235                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.09   0.03   0.02    -0.12  -0.04  -0.02
     2   6     0.00   0.00   0.00    -0.10  -0.04  -0.02    -0.14  -0.08  -0.03
     3   6     0.00  -0.00   0.00     0.06   0.04   0.01     0.06  -0.05  -0.00
     4   6     0.01   0.01  -0.00    -0.12   0.01  -0.01    -0.04   0.17   0.03
     5   6    -0.00  -0.00  -0.00     0.06  -0.09  -0.01     0.07  -0.14  -0.02
     6   6     0.00  -0.00   0.00     0.09   0.08   0.03     0.11   0.12   0.03
     7   6    -0.00  -0.00  -0.00    -0.10  -0.06  -0.02     0.12   0.10   0.03
     8   1    -0.05  -0.02  -0.01    -0.22  -0.06  -0.03    -0.16  -0.14  -0.04
     9   1     0.01  -0.01  -0.00    -0.36   0.23   0.00    -0.33   0.15  -0.01
    10   1    -0.00  -0.00  -0.00    -0.35  -0.09  -0.06    -0.39  -0.07  -0.06
    11   6    -0.02  -0.01   0.02     0.03  -0.00   0.01     0.02  -0.03  -0.00
    12   6    -0.03   0.00   0.04     0.00   0.00   0.00     0.00   0.00  -0.00
    13   6    -0.00  -0.00  -0.01    -0.00   0.00  -0.01    -0.00   0.00  -0.01
    14   1     0.02   0.02  -0.02     0.02   0.01  -0.00    -0.13   0.04   0.01
    15   1    -0.13   0.36   0.08    -0.07  -0.02  -0.04    -0.00   0.03   0.00
    16   1     0.64   0.02  -0.20     0.01  -0.03   0.04     0.03   0.00  -0.01
    17   1     0.05  -0.39  -0.48     0.01   0.04  -0.07     0.01  -0.03  -0.01
    18   8     0.01   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    20   1    -0.00   0.00  -0.01     0.01   0.00   0.01    -0.00   0.01  -0.00
    21   6    -0.00   0.00   0.00    -0.05   0.08   0.01     0.04  -0.14  -0.02
    22   6    -0.00  -0.01  -0.00     0.16  -0.01   0.02    -0.06   0.18   0.03
    23   6    -0.00   0.00   0.00    -0.05  -0.04  -0.01     0.09  -0.04   0.00
    24   8     0.00   0.00   0.00    -0.05   0.02  -0.00     0.00  -0.03  -0.00
    25   6     0.00   0.00   0.00    -0.02   0.03   0.00     0.01  -0.01  -0.00
    26   1     0.01   0.00   0.00     0.34   0.10   0.06    -0.40  -0.10  -0.07
    27   1     0.00   0.00   0.00     0.30  -0.19   0.00    -0.28   0.10  -0.02
    28   1     0.01   0.01   0.00     0.21   0.05   0.04    -0.24  -0.18  -0.06
    29   1    -0.01   0.04   0.01     0.03  -0.26  -0.04     0.02  -0.04  -0.00
    30   1    -0.03  -0.04   0.02     0.15  -0.18   0.06     0.02   0.15  -0.06
    31   1    -0.02  -0.03  -0.04     0.16  -0.16  -0.08     0.00   0.12   0.11
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1616.9798              1653.3001              1672.5286
 Red. masses --      6.9561                 5.5336                 6.1136
 Frc consts  --     10.7158                 8.9117                10.0762
 IR Inten    --      2.5330               118.0767                58.5160
 RamAct Fr= 1--     39.5089                11.3698               230.8532
  Dep-P Fr= 1--      0.1774                 0.4367                 0.4467
  Dep-U Fr= 1--      0.3014                 0.6079                 0.6176
 Alpha2 Fr= 1--      0.5693                 0.0735                 1.4339
 Beta2  Fr= 1--      1.9845                 1.1520                23.7612
 AlphaG Fr= 1--      0.8052                 0.1382                 0.4973
 Gamma2 Fr= 1--     -2.2605                 0.3414                -7.2812
 Delta2 Fr= 1--     -1.5997                -4.9432                10.5445
 Raman1 Fr= 1--     158.036                 45.479                923.413
 ROA1   Fr= 1--    -268.201               -125.409               -361.575
 CID1   Fr= 1--      -1.697                 -2.758                 -0.392
 Raman2 Fr= 1--      23.814                 13.824                285.135
 ROA2   Fr= 1--     -41.455                 47.739               -259.106
 CID2   Fr= 1--      -1.741                  3.453                 -0.909
 Raman3 Fr= 1--      47.629                 27.649                570.270
 ROA3   Fr= 1--    -268.201               -125.409               -361.575
 CID3   Fr= 1--      -5.631                 -4.536                 -0.634
 RC180  Fr= 1--      -0.397                  0.216                  0.235
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.28   0.04    -0.03   0.01  -0.00    -0.24  -0.06  -0.04
     2   6     0.07  -0.28  -0.04    -0.01   0.01   0.00     0.23   0.05   0.04
     3   6    -0.11  -0.17  -0.04     0.20   0.12   0.05     0.20   0.08   0.04
     4   6     0.04   0.21   0.05    -0.19  -0.11  -0.04    -0.13  -0.06  -0.03
     5   6     0.17  -0.14  -0.01     0.22  -0.05   0.02     0.18  -0.04   0.01
     6   6    -0.13   0.09   0.00    -0.21  -0.01  -0.03    -0.23  -0.04  -0.04
     7   6     0.12  -0.10  -0.00    -0.22  -0.01  -0.03     0.25   0.05   0.04
     8   1     0.35   0.01   0.04    -0.33  -0.07  -0.05    -0.31  -0.10  -0.05
     9   1    -0.17   0.14   0.00    -0.20   0.29   0.03    -0.12   0.20   0.02
    10   1     0.10   0.19   0.05     0.16   0.15   0.05     0.25   0.16   0.06
    11   6    -0.00  -0.02  -0.00     0.03   0.01   0.01     0.01   0.01   0.01
    12   6     0.01  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00   0.00  -0.00    -0.01  -0.00  -0.01    -0.01  -0.00  -0.00
    14   1    -0.14   0.03   0.01     0.10  -0.01  -0.01     0.07  -0.01  -0.01
    15   1     0.01   0.00  -0.00    -0.02  -0.00  -0.00    -0.01   0.00  -0.00
    16   1    -0.04   0.01  -0.00     0.01  -0.01   0.00     0.02  -0.00  -0.00
    17   1     0.00   0.00   0.03     0.00   0.03  -0.03     0.00   0.01  -0.02
    18   8    -0.00  -0.00   0.00     0.01   0.00   0.00     0.00   0.00   0.00
    19   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    20   1    -0.01  -0.00  -0.01     0.01   0.00   0.02     0.01   0.01   0.03
    21   6    -0.18   0.17   0.01     0.23  -0.04   0.02    -0.20   0.04  -0.02
    22   6    -0.05  -0.27  -0.05    -0.19  -0.11  -0.04     0.13   0.07   0.03
    23   6     0.10   0.19   0.05     0.18   0.11   0.04    -0.20  -0.08  -0.04
    24   8     0.03   0.01   0.01     0.03   0.01   0.01    -0.01  -0.01  -0.00
    25   6    -0.01   0.00  -0.00     0.01  -0.01  -0.00    -0.01   0.01   0.00
    26   1    -0.05  -0.18  -0.04     0.16   0.16   0.05    -0.28  -0.17  -0.06
    27   1     0.18  -0.13  -0.00    -0.17   0.29   0.03     0.09  -0.21  -0.03
    28   1    -0.35   0.03  -0.04    -0.30  -0.05  -0.05     0.29   0.10   0.05
    29   1    -0.03   0.05   0.01    -0.01   0.10   0.02     0.00  -0.05  -0.01
    30   1     0.01  -0.01  -0.00    -0.05   0.05  -0.03     0.02  -0.05   0.02
    31   1     0.01  -0.01   0.00    -0.05   0.05   0.03     0.03  -0.04  -0.03
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1834.0161              3011.4000              3045.9794
 Red. masses --     10.0676                 1.0345                 1.0361
 Frc consts  --     19.9518                 5.5273                 5.6636
 IR Inten    --    481.7374                47.0011                12.7207
 RamAct Fr= 1--     18.3095               237.4525               201.8868
  Dep-P Fr= 1--      0.3092                 0.0642                 0.0206
  Dep-U Fr= 1--      0.4724                 0.1207                 0.0404
 Alpha2 Fr= 1--      0.1826                 4.5335                 4.2748
 Beta2  Fr= 1--      1.4416                 4.7777                 1.3604
 AlphaG Fr= 1--      0.4956                -0.6320                 0.2914
 Gamma2 Fr= 1--      1.4170                -2.0306                 2.0650
 Delta2 Fr= 1--      0.5522                 1.5415                -0.3506
 Raman1 Fr= 1--      73.238                949.810                807.547
 ROA1   Fr= 1--     153.700               -145.606                187.021
 CID1   Fr= 1--       2.099                 -0.153                  0.232
 Raman2 Fr= 1--      17.299                 57.332                 16.324
 ROA2   Fr= 1--      29.590                -61.066                 52.365
 CID2   Fr= 1--       1.710                 -1.065                  3.208
 Raman3 Fr= 1--      34.598                114.665                 32.649
 ROA3   Fr= 1--     153.700               -145.606                187.021
 CID3   Fr= 1--       4.442                 -1.270                  5.728
 RC180  Fr= 1--      -0.055                 -0.759                 -0.919
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.02  -0.01   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.01   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     6   6    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     7   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   1    -0.01  -0.00   0.01    -0.00   0.00   0.00    -0.01   0.02   0.00
     9   1    -0.01   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   1     0.01   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6    -0.04  -0.01   0.02     0.00   0.00   0.00    -0.00  -0.01  -0.01
    12   6     0.01  -0.01   0.00     0.00  -0.00   0.00    -0.00   0.05  -0.01
    13   6     0.69   0.22  -0.04    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1     0.13   0.06  -0.11    -0.00  -0.00  -0.00     0.04   0.08   0.08
    15   1    -0.06   0.06  -0.01     0.00   0.00  -0.00    -0.25  -0.15   0.50
    16   1     0.00   0.00  -0.02     0.00   0.00   0.00    -0.15  -0.45  -0.47
    17   1     0.02   0.04  -0.05    -0.00  -0.00  -0.00     0.44   0.02   0.06
    18   8    -0.44  -0.14   0.02     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   8    -0.05  -0.01   0.03    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    20   1    -0.08  -0.00  -0.45     0.00   0.00   0.00    -0.00  -0.00   0.00
    21   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    22   6    -0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    23   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    24   8     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    25   6    -0.00   0.00   0.00    -0.00  -0.05  -0.01    -0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    27   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    28   1    -0.00   0.00  -0.00     0.01  -0.02  -0.00     0.00  -0.00  -0.00
    29   1    -0.00   0.00   0.00    -0.29  -0.05  -0.05    -0.00  -0.00  -0.00
    30   1    -0.00  -0.00   0.00     0.10   0.24   0.63     0.00   0.00   0.00
    31   1    -0.00  -0.00  -0.00     0.23   0.43  -0.47     0.00   0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3064.4980              3068.0720              3109.7275
 Red. masses --      1.0831                 1.1058                 1.1017
 Frc consts  --      5.9929                 6.1328                 6.2771
 IR Inten    --      5.5271                32.6950                18.8235
 RamAct Fr= 1--     80.1880                58.5947                50.3763
  Dep-P Fr= 1--      0.2856                 0.7499                 0.3562
  Dep-U Fr= 1--      0.4443                 0.8571                 0.5253
 Alpha2 Fr= 1--      0.8582                 0.0001                 0.4334
 Beta2  Fr= 1--      5.9383                 8.3698                 4.4104
 AlphaG Fr= 1--      2.0066                -0.0893                -1.3026
 Gamma2 Fr= 1--     -1.9292                -3.1096                 2.6195
 Delta2 Fr= 1--      0.9076                -2.7787                 1.3080
 Raman1 Fr= 1--     320.752                234.379                201.505
 ROA1   Fr= 1--    -156.162               -387.442                293.331
 CID1   Fr= 1--      -0.487                 -1.653                  1.456
 Raman2 Fr= 1--      71.259                100.437                 52.925
 ROA2   Fr= 1--     -53.562                -52.401                 52.405
 CID2   Fr= 1--      -0.752                 -0.522                  0.990
 Raman3 Fr= 1--     142.519                200.875                105.850
 ROA3   Fr= 1--    -156.162               -387.442                293.331
 CID3   Fr= 1--      -1.096                 -1.929                  2.771
 RC180  Fr= 1--      -0.111                  0.714                  0.051
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   1    -0.00   0.01   0.00     0.00   0.00  -0.00     0.02  -0.04  -0.00
     9   1    -0.02  -0.02  -0.01     0.00   0.00  -0.00    -0.01  -0.01  -0.00
    10   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    11   6    -0.03  -0.05  -0.06    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
    12   6     0.01  -0.00   0.02    -0.00   0.00   0.00    -0.00  -0.03  -0.09
    13   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   1     0.32   0.63   0.66     0.00   0.00   0.00     0.06   0.13   0.13
    15   1     0.08   0.05  -0.15     0.00   0.00  -0.00    -0.29  -0.18   0.55
    16   1    -0.02  -0.04  -0.04    -0.00  -0.00  -0.00     0.16   0.49   0.48
    17   1    -0.14  -0.00  -0.01     0.00   0.00   0.00     0.19  -0.00   0.00
    18   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    19   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    20   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    21   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    22   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    23   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    24   8    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    25   6    -0.00  -0.00  -0.00     0.01   0.02  -0.09    -0.00  -0.00  -0.00
    26   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    27   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    28   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    29   1    -0.00  -0.00  -0.00     0.00   0.00  -0.02     0.00   0.00   0.00
    30   1     0.00   0.00   0.00     0.12   0.26   0.64     0.00   0.00   0.00
    31   1     0.00   0.00  -0.00    -0.26  -0.46   0.47     0.00   0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3127.4157              3140.3598              3163.1443
 Red. masses --      1.1022                 1.0993                 1.0864
 Frc consts  --      6.3516                 6.3876                 6.4042
 IR Inten    --     14.8150                22.9133                 3.8318
 RamAct Fr= 1--    121.9914               178.6810                61.1600
  Dep-P Fr= 1--      0.5372                 0.4061                 0.6932
  Dep-U Fr= 1--      0.6989                 0.5776                 0.8188
 Alpha2 Fr= 1--      0.5005                 1.2949                 0.0608
 Beta2  Fr= 1--     14.2098                17.2017                 8.3461
 AlphaG Fr= 1--      0.4336                 0.1980                -0.0128
 Gamma2 Fr= 1--     -3.6624                 0.8159                 0.0287
 Delta2 Fr= 1--      3.3384                 0.9928                 2.5407
 Raman1 Fr= 1--     487.966                714.724                244.640
 ROA1   Fr= 1--    -244.757                110.094                 84.052
 CID1   Fr= 1--      -0.502                  0.154                  0.344
 Raman2 Fr= 1--     170.518                206.420                100.153
 ROA2   Fr= 1--    -114.604                 11.639                -19.638
 CID2   Fr= 1--      -0.672                  0.056                 -0.196
 Raman3 Fr= 1--     341.036                412.840                200.305
 ROA3   Fr= 1--    -244.757                110.094                 84.052
 CID3   Fr= 1--      -0.718                  0.267                  0.420
 RC180  Fr= 1--       0.398                  0.155                  0.638
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.04   0.05   0.01
     6   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02  -0.05  -0.01
     7   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   1     0.01  -0.02  -0.00     0.00  -0.00  -0.00    -0.01   0.03   0.00
     9   1    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.45  -0.58  -0.16
    10   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.25   0.61   0.08
    11   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    12   6    -0.09  -0.02   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    13   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    14   1     0.02   0.03   0.03    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
    15   1     0.18   0.12  -0.40    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   1     0.02   0.12   0.13    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   1     0.86   0.02   0.11    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   8     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    19   8     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    20   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    21   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    22   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    24   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    25   6    -0.00  -0.00  -0.00    -0.09  -0.03  -0.02     0.00   0.00   0.00
    26   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    27   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    28   1     0.00  -0.00  -0.00     0.01  -0.03  -0.00     0.01  -0.02  -0.00
    29   1     0.00   0.00   0.00     0.93   0.16   0.15    -0.00  -0.00  -0.00
    30   1     0.00   0.00   0.00     0.02   0.06   0.18    -0.00  -0.00  -0.00
    31   1     0.00   0.00  -0.00     0.06   0.12  -0.14    -0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3172.0586              3178.0321              3180.5109
 Red. masses --      1.0884                 1.0890                 1.0944
 Frc consts  --      6.4527                 6.4802                 6.5228
 IR Inten    --      2.8355                13.9795                 8.3039
 RamAct Fr= 1--     36.5654                58.1574               192.1584
  Dep-P Fr= 1--      0.6189                 0.5515                 0.1537
  Dep-U Fr= 1--      0.7646                 0.7109                 0.2664
 Alpha2 Fr= 1--      0.0878                 0.2205                 2.9431
 Beta2  Fr= 1--      4.6594                 6.8905                 8.5313
 AlphaG Fr= 1--      0.0351                 0.0906                -0.0029
 Gamma2 Fr= 1--     -0.0716                 3.0181                -2.5804
 Delta2 Fr= 1--     -0.9903                 1.6732                -3.5983
 Raman1 Fr= 1--     146.262                232.630                768.634
 ROA1   Fr= 1--     -38.563                343.277               -362.863
 CID1   Fr= 1--      -0.264                  1.476                 -0.472
 Raman2 Fr= 1--      55.913                 82.686                102.376
 ROA2   Fr= 1--       6.204                 59.048                -33.144
 CID2   Fr= 1--       0.111                  0.714                 -0.324
 Raman3 Fr= 1--     111.826                165.373                204.752
 ROA3   Fr= 1--     -38.563                343.277               -362.863
 CID3   Fr= 1--      -0.345                  2.076                 -1.772
 RC180  Fr= 1--       0.529                  0.422                 -0.467
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   6    -0.01   0.02   0.00     0.03  -0.07  -0.01    -0.01   0.02   0.00
     4   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00   0.00    -0.01  -0.01  -0.00    -0.04  -0.04  -0.01
     6   6    -0.00   0.00   0.00     0.01  -0.02  -0.00     0.03  -0.06  -0.01
     7   6     0.03  -0.07  -0.01     0.01  -0.02  -0.00    -0.00   0.00   0.00
     8   1     0.10  -0.26  -0.03    -0.34   0.84   0.10     0.10  -0.25  -0.03
     9   1    -0.01  -0.01  -0.00     0.12   0.16   0.04     0.38   0.48   0.13
    10   1     0.00  -0.01  -0.00    -0.07   0.17   0.02    -0.28   0.66   0.09
    11   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    14   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.01   0.01
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    16   1    -0.00  -0.01  -0.01     0.01   0.04   0.04    -0.00  -0.01  -0.01
    17   1    -0.01  -0.00  -0.00     0.02   0.00   0.00    -0.00  -0.00   0.00
    18   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    19   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    21   6     0.01   0.02   0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
    22   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    23   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    24   8     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    25   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    26   1    -0.35   0.84   0.11    -0.09   0.23   0.03     0.02  -0.05  -0.01
    27   1    -0.18  -0.22  -0.06    -0.06  -0.08  -0.02     0.02   0.02   0.01
    28   1    -0.01   0.02   0.00    -0.00   0.00   0.00     0.02  -0.05  -0.01
    29   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    31   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3200.0248              3206.0308              3680.6668
 Red. masses --      1.0937                 1.0893                 1.0651
 Frc consts  --      6.5988                 6.5969                 8.5016
 IR Inten    --      4.9722                 8.5404               203.7447
 RamAct Fr= 1--    202.2583                85.7942               235.4809
  Dep-P Fr= 1--      0.2114                 0.2517                 0.2652
  Dep-U Fr= 1--      0.3490                 0.4021                 0.4192
 Alpha2 Fr= 1--      2.6647                 1.0121                 2.6737
 Beta2  Fr= 1--     11.7641                 5.7498                16.4518
 AlphaG Fr= 1--      0.3375                -0.1293                 4.9062
 Gamma2 Fr= 1--      2.6721                -1.3478                52.4899
 Delta2 Fr= 1--      1.2370                 0.1352                 4.3994
 Raman1 Fr= 1--     809.033                343.177                941.924
 ROA1   Fr= 1--     296.110               -125.061               5179.807
 CID1   Fr= 1--       0.366                 -0.364                  5.499
 Raman2 Fr= 1--     141.169                 68.997                197.421
 ROA2   Fr= 1--      54.236                -33.429               1224.562
 CID2   Fr= 1--       0.384                 -0.484                  6.203
 Raman3 Fr= 1--     282.339                137.995                394.842
 ROA3   Fr= 1--     296.110               -125.061               5179.807
 CID3   Fr= 1--       1.049                 -0.906                 13.119
 RC180  Fr= 1--      -0.302                 -0.196                 -0.162
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     7   6     0.01  -0.02  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     8   1    -0.01   0.02   0.00     0.00  -0.01  -0.00     0.00   0.00   0.00
     9   1    -0.00  -0.00  -0.00     0.01   0.01   0.00    -0.00  -0.00  -0.00
    10   1     0.00  -0.00  -0.00    -0.02   0.05   0.01     0.00  -0.00  -0.00
    11   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    15   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    19   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.06  -0.02   0.01
    20   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.95   0.25  -0.18
    21   6    -0.05  -0.06  -0.02    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    22   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    23   6     0.00   0.00   0.00     0.03  -0.08  -0.01     0.00   0.00   0.00
    24   8     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    25   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    26   1    -0.12   0.28   0.03     0.01  -0.02  -0.00    -0.00   0.00   0.00
    27   1     0.58   0.72   0.20     0.01   0.01   0.00     0.00   0.00   0.00
    28   1     0.00  -0.01  -0.00    -0.37   0.91   0.12     0.00  -0.00  -0.00
    29   1    -0.00  -0.00  -0.00     0.02   0.01   0.00     0.00   0.00   0.00
    30   1    -0.00   0.00   0.00     0.00   0.01   0.02    -0.00  -0.00  -0.00
    31   1    -0.00   0.00  -0.00     0.01   0.01  -0.02    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  8 and mass  15.99491
 Atom    19 has atomic number  8 and mass  15.99491
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  8 and mass  15.99491
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1309.984398649.942099137.78575
           X            0.99985  -0.01540   0.00853
           Y            0.01536   0.99987   0.00518
           Z           -0.00860  -0.00505   0.99995
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06612     0.01001     0.00948
 Rotational constants (GHZ):           1.37768     0.20864     0.19750
 Zero-point vibrational energy     658875.7 (Joules/Mol)
                                  157.47507 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     32.48    57.59    62.47   134.72   186.70
          (Kelvin)            200.96   267.20   288.93   318.38   350.30
                              373.84   407.74   470.71   512.51   561.64
                              594.33   622.74   700.35   709.02   758.95
                              772.49   824.00   861.01   899.87   933.66
                              988.48  1028.11  1080.36  1109.38  1130.73
                             1173.24  1192.11  1205.02  1246.82  1271.32
                             1327.29  1365.89  1387.93  1397.39  1411.77
                             1458.65  1527.51  1552.19  1570.09  1654.46
                             1689.27  1700.00  1713.51  1721.26  1724.41
                             1758.50  1801.16  1866.99  1873.33  1877.69
                             1910.74  1931.44  1993.76  2024.87  2032.58
                             2053.41  2092.13  2124.80  2148.77  2155.23
                             2166.89  2173.06  2194.70  2222.11  2326.47
                             2378.73  2406.40  2638.74  4332.73  4382.48
                             4409.13  4414.27  4474.20  4499.65  4518.28
                             4551.06  4563.88  4572.48  4576.05  4604.12
                             4612.76  5295.66
 
 Zero-point correction=                           0.250952 (Hartree/Particle)
 Thermal correction to Energy=                    0.266094
 Thermal correction to Enthalpy=                  0.267038
 Thermal correction to Gibbs Free Energy=         0.207305
 Sum of electronic and zero-point Energies=           -767.721412
 Sum of electronic and thermal Energies=              -767.706270
 Sum of electronic and thermal Enthalpies=            -767.705326
 Sum of electronic and thermal Free Energies=         -767.765059
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.976             58.474            125.719
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             33.004
 Vibrational            165.199             52.512             50.513
 Vibration     1          0.593              1.985              6.394
 Vibration     2          0.594              1.981              5.258
 Vibration     3          0.595              1.980              5.097
 Vibration     4          0.603              1.954              3.583
 Vibration     5          0.612              1.924              2.950
 Vibration     6          0.615              1.914              2.808
 Vibration     7          0.632              1.859              2.270
 Vibration     8          0.638              1.839              2.126
 Vibration     9          0.648              1.809              1.949
 Vibration    10          0.659              1.774              1.777
 Vibration    11          0.668              1.746              1.663
 Vibration    12          0.682              1.704              1.513
 Vibration    13          0.711              1.621              1.274
 Vibration    14          0.732              1.562              1.139
 Vibration    15          0.758              1.491              0.999
 Vibration    16          0.777              1.442              0.916
 Vibration    17          0.794              1.399              0.849
 Vibration    18          0.843              1.279              0.692
 Vibration    19          0.848              1.266              0.676
 Vibration    20          0.882              1.189              0.593
 Vibration    21          0.892              1.168              0.572
 Vibration    22          0.929              1.090              0.499
 Vibration    23          0.956              1.035              0.452
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.442994D-95        -95.353602       -219.559783
 Total V=0       0.119242D+21         20.076429         46.227685
 Vib (Bot)       0.886501-110       -110.052321       -253.404833
 Vib (Bot)    1  0.917503D+01          0.962608          2.216486
 Vib (Bot)    2  0.516911D+01          0.713416          1.642701
 Vib (Bot)    3  0.476370D+01          0.677944          1.561024
 Vib (Bot)    4  0.219433D+01          0.341303          0.785879
 Vib (Bot)    5  0.157113D+01          0.196213          0.451797
 Vib (Bot)    6  0.145595D+01          0.163146          0.375657
 Vib (Bot)    7  0.107934D+01          0.033160          0.076354
 Vib (Bot)    8  0.992602D+00         -0.003225         -0.007426
 Vib (Bot)    9  0.893387D+00         -0.048960         -0.112735
 Vib (Bot)   10  0.804081D+00         -0.094700         -0.218056
 Vib (Bot)   11  0.747583D+00         -0.126340         -0.290910
 Vib (Bot)   12  0.677198D+00         -0.169284         -0.389792
 Vib (Bot)   13  0.572107D+00         -0.242523         -0.558429
 Vib (Bot)   14  0.515841D+00         -0.287484         -0.661957
 Vib (Bot)   15  0.459794D+00         -0.337436         -0.776976
 Vib (Bot)   16  0.427307D+00         -0.369260         -0.850253
 Vib (Bot)   17  0.401675D+00         -0.396125         -0.912111
 Vib (Bot)   18  0.341585D+00         -0.466501         -1.074158
 Vib (Bot)   19  0.335639D+00         -0.474128         -1.091719
 Vib (Bot)   20  0.303890D+00         -0.517284         -1.191089
 Vib (Bot)   21  0.295952D+00         -0.528778         -1.217557
 Vib (Bot)   22  0.268013D+00         -0.571844         -1.316720
 Vib (Bot)   23  0.249920D+00         -0.602199         -1.386615
 Vib (V=0)       0.238622D+06          5.377710         12.382635
 Vib (V=0)    1  0.968864D+01          0.986263          2.270955
 Vib (V=0)    2  0.569324D+01          0.755360          1.739280
 Vib (V=0)    3  0.528987D+01          0.723445          1.665793
 Vib (V=0)    4  0.275058D+01          0.439424          1.011811
 Vib (V=0)    5  0.214877D+01          0.332191          0.764898
 Vib (V=0)    6  0.203941D+01          0.309505          0.712661
 Vib (V=0)    7  0.168953D+01          0.227766          0.524451
 Vib (V=0)    8  0.161142D+01          0.207209          0.477117
 Vib (V=0)    9  0.152379D+01          0.182924          0.421199
 Vib (V=0)   10  0.144686D+01          0.160427          0.369396
 Vib (V=0)   11  0.139938D+01          0.145935          0.336028
 Vib (V=0)   12  0.134178D+01          0.127682          0.293999
 Vib (V=0)   13  0.125981D+01          0.100304          0.230958
 Vib (V=0)   14  0.121840D+01          0.085788          0.197535
 Vib (V=0)   15  0.117927D+01          0.071614          0.164898
 Vib (V=0)   16  0.115772D+01          0.063602          0.146450
 Vib (V=0)   17  0.114136D+01          0.057423          0.132221
 Vib (V=0)   18  0.110554D+01          0.043575          0.100335
 Vib (V=0)   19  0.110221D+01          0.042263          0.097315
 Vib (V=0)   20  0.108511D+01          0.035472          0.081678
 Vib (V=0)   21  0.108102D+01          0.033835          0.077908
 Vib (V=0)   22  0.106730D+01          0.028287          0.065134
 Vib (V=0)   23  0.105898D+01          0.024888          0.057307
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.364255D+07          6.561406         15.108195
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3          333333333333 3                              111111111111111111111111111111111                                        
     6          221111111000 0                              866655554444444333332221111110000999998888877776665555444433322222111    
     8          008776421664 1                              3751421099752108420095299987597618764286321875184297329831952864208439442
     1          601823070846 1                              4337450683747376285282296124019241159347895611579583773733067303116004303
 
     X          XXXXXXXXXXXX X                              XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
     X                       X                              XXX  X X    X    X  XX         X                  X                      
     X                                                      X X         X    X  XX                                                   
     X                                                      X X              X  XX                                                   
     X                                                      X X              X   X                                                   
     X                                                      X                X   X                                                   
     X                                                      X                X                                                       
     X                                                      X                X                                                       
                                                            X                X                                                       
                                                            X                X                                                       
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000002867   -0.000006315   -0.000001209
      2        6          -0.000006112   -0.000001457   -0.000000489
      3        6           0.000005874    0.000006898    0.000001326
      4        6          -0.000000732    0.000001262   -0.000005608
      5        6          -0.000006101    0.000002031    0.000001535
      6        6           0.000003535    0.000004410   -0.000000001
      7        6           0.000006092    0.000001068    0.000000378
      8        1          -0.000003108   -0.000002557    0.000002096
      9        1           0.000001599   -0.000000717   -0.000001173
     10        1          -0.000001642   -0.000000940    0.000000655
     11        6           0.000008422   -0.000026061    0.000009020
     12        6          -0.000004952    0.000002803    0.000007718
     13        6          -0.000041618    0.000012249   -0.000038722
     14        1           0.000003857    0.000003827   -0.000005627
     15        1           0.000000182    0.000001531   -0.000002109
     16        1           0.000002765   -0.000000756    0.000000678
     17        1           0.000000837   -0.000002417   -0.000001283
     18        8           0.000018754    0.000002386    0.000002603
     19        8           0.000012064   -0.000000743    0.000031929
     20        1           0.000006529    0.000002776   -0.000004250
     21        6          -0.000005283    0.000004156    0.000000104
     22        6          -0.000000507   -0.000003531   -0.000000955
     23        6          -0.000000324    0.000000544    0.000000174
     24        8          -0.000004159    0.000006236    0.000002577
     25        6           0.000012160   -0.000012231   -0.000001075
     26        1          -0.000001735   -0.000000332   -0.000000029
     27        1          -0.000000255   -0.000001144   -0.000000213
     28        1          -0.000003633    0.000002337    0.000000139
     29        1           0.000000205    0.000000261    0.000000440
     30        1          -0.000000161    0.000001824    0.000001717
     31        1           0.000000315    0.000002602   -0.000000345
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000041618 RMS     0.000008548
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.310304D+03  0.801297D+01  0.156234D+02
      2   0.801297D+01  0.178922D+03  0.851365D+01
      3   0.156234D+02  0.851365D+01  0.123898D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.203534D+01 -0.303028D+02 -0.489183D+00
      2   0.677976D+02  0.207706D+02 -0.180679D+02
      3   0.466256D+02 -0.581613D+02 -0.175968D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.290746D+03 -0.590445D+02  0.692163D+02
      2  -0.123294D+03  0.589366D+02 -0.198131D+02
      3  -0.167453D+03  0.107863D+00 -0.494033D+02
      4  -0.570905D+02  0.127808D+03  0.521550D+02
      5   0.251624D+01  0.557481D+02 -0.432346D+02
      6   0.211531D+02 -0.538216D+02 -0.317313D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.373488D+02 -0.356734D+01 -0.319371D+01  0.428024D+02  0.879701D+01
      2  -0.356734D+01 -0.981680D+00 -0.935910D+00  0.879701D+01  0.933050D+01
      3  -0.319371D+01 -0.935910D+00 -0.148326D+00  0.586807D+01  0.237731D+01
                 6             7             8             9            10 
      1   0.586807D+01  0.406376D+01  0.117668D+01 -0.418723D+00  0.417434D+02
      2   0.237731D+01  0.117668D+01  0.109764D+01  0.160468D+01  0.450676D+01
      3   0.372196D+00 -0.418723D+00  0.160468D+01  0.408339D+00  0.381249D+01
                11            12            13            14            15 
      1   0.450676D+01  0.381249D+01 -0.430446D+02 -0.810905D+01 -0.596966D+01
      2   0.437003D+01  0.107193D+01 -0.810905D+01 -0.791850D+01 -0.247265D+01
      3   0.107193D+01 -0.728685D-01 -0.596966D+01 -0.247265D+01 -0.439145D+00
                16            17            18            19            20 
      1  -0.250239D+01 -0.895852D+00  0.723908D+00  0.400734D+02  0.548460D+01
      2  -0.895852D+00 -0.363953D+00 -0.146317D+01  0.548460D+01  0.386370D+01
      3   0.723908D+00 -0.146317D+01 -0.423955D+00  0.303988D+01  0.911565D+00
                21            22            23            24            25 
      1   0.303988D+01  0.226010D+02  0.239958D+01  0.510656D+00  0.964921D+01
      2   0.911565D+00  0.239958D+01  0.389059D+01  0.192497D+00  0.258453D+00
      3   0.419189D+00  0.510656D+00  0.192497D+00  0.204666D+01 -0.112836D+01
                26            27            28            29            30 
      1   0.258453D+00 -0.112836D+01 -0.514757D+02 -0.475288D+01 -0.601540D+00
      2  -0.119143D+00  0.330050D+01 -0.475288D+01 -0.285600D+01 -0.340376D+00
      3   0.330050D+01  0.998825D+00 -0.601540D+00 -0.340376D+00 -0.206180D+01
                31            32            33            34            35 
      1  -0.120233D+02 -0.107512D+01  0.416711D+00 -0.542151D+01  0.358475D+00
      2  -0.107512D+01 -0.781632D+01 -0.218259D+01  0.358475D+00 -0.215836D+01
      3   0.416711D+00 -0.218259D+01 -0.557214D+00 -0.595168D+01 -0.113594D+01
                36            37            38            39            40 
      1  -0.595168D+01 -0.604294D+01 -0.437033D+00 -0.553282D+00 -0.818970D+01
      2  -0.113594D+01 -0.437033D+00 -0.878947D+01 -0.153916D+01 -0.151418D+01
      3  -0.156586D+01 -0.553282D+00 -0.153916D+01 -0.223727D+01  0.733294D+00
                41            42            43            44            45 
      1  -0.151418D+01  0.733294D+00 -0.165256D+01  0.113760D+01 -0.400743D+01
      2   0.257610D+01  0.136142D+01  0.113760D+01  0.183365D+00 -0.253602D+01
      3   0.136142D+01 -0.578257D+00 -0.400743D+01 -0.253602D+01 -0.294626D+01
                46            47            48            49            50 
      1   0.988742D+01  0.190852D+01  0.182826D+01 -0.123318D+01 -0.150363D+01
      2   0.190852D+01  0.614425D+01  0.228976D+01 -0.150363D+01 -0.229595D+00
      3   0.182826D+01  0.228976D+01  0.262084D+01 -0.304536D+00  0.855057D+00
                51            52            53            54            55 
      1  -0.304536D+00  0.792691D+00  0.293441D+00  0.145051D+01 -0.115899D+02
      2   0.855057D+00  0.293441D+00  0.213758D+01 -0.335773D+01 -0.406133D+01
      3  -0.103966D+01  0.145051D+01 -0.335773D+01 -0.133897D+01 -0.188709D+01
                56            57            58            59            60 
      1  -0.406133D+01 -0.188709D+01 -0.959172D+00  0.103884D+01 -0.696576D-01
      2  -0.954791D+01 -0.195726D+01  0.103884D+01 -0.444054D+00 -0.849811D+00
      3  -0.195726D+01 -0.251395D+01 -0.696576D-01 -0.849811D+00  0.123570D+01
                61            62            63            64            65 
      1  -0.143387D+01 -0.531112D+00 -0.153948D+01 -0.181230D+01  0.227185D+01
      2  -0.531112D+00 -0.265850D+01  0.337299D+01  0.227185D+01 -0.132904D+01
      3  -0.153948D+01  0.337299D+01  0.765364D+00 -0.907869D-01  0.164361D+00
                66            67            68            69            70 
      1  -0.907869D-01  0.342095D+01 -0.309724D+01 -0.831865D-01 -0.339405D+00
      2   0.164361D+00 -0.309724D+01  0.612788D+01  0.247567D+00 -0.947246D-01
      3  -0.147510D+00 -0.831865D-01  0.247567D+00  0.767358D+00  0.825554D-01
                71            72            73            74            75 
      1  -0.947246D-01  0.825554D-01 -0.516134D+01 -0.301536D+01 -0.117163D+01
      2   0.759982D+00  0.177680D+00 -0.301536D+01 -0.316707D+01 -0.931051D+00
      3   0.177680D+00  0.660753D-01 -0.117163D+01 -0.931051D+00 -0.792711D+00
                76            77            78            79            80 
      1  -0.360533D+01 -0.416488D+01 -0.122911D+01 -0.153753D+01 -0.122613D+01
      2  -0.416488D+01 -0.613916D+01 -0.156592D+01 -0.122613D+01 -0.137702D+01
      3  -0.122911D+01 -0.156592D+01 -0.124942D+01  0.631458D-02 -0.681165D+00
                81            82            83            84            85 
      1   0.631458D-02  0.142433D+01 -0.179123D+01 -0.212602D+00 -0.989626D+00
      2  -0.681165D+00 -0.179123D+01  0.285815D+01  0.346153D+00  0.206423D+01
      3  -0.360047D+00 -0.212602D+00  0.346153D+00  0.318714D+00  0.436850D+00
                86            87            88            89            90 
      1   0.206423D+01  0.436850D+00 -0.964848D-01  0.134556D+00 -0.222429D-01
      2  -0.955581D+01 -0.146116D+01  0.134556D+00 -0.139121D+01 -0.446090D+00
      3  -0.146116D+01 -0.118236D+01 -0.222429D-01 -0.446090D+00 -0.269871D+00
                91            92            93            94            95 
      1   0.245673D+02  0.347279D+01 -0.187305D+01  0.304011D+01  0.255806D+01
      2   0.347279D+01  0.169772D+01 -0.683317D+00  0.255806D+01 -0.691573D+00
      3  -0.187305D+01 -0.683317D+00  0.283581D+01 -0.682724D-02  0.289614D+01
                96            97            98            99           100 
      1  -0.682724D-02 -0.849695D+01 -0.137169D+01  0.563859D+01  0.697869D+01
      2   0.289614D+01 -0.137169D+01  0.166289D+01  0.227057D+01 -0.619433D+00
      3   0.111703D+01  0.563859D+01  0.227057D+01 -0.133107D+00  0.180472D+01
               101           102           103           104           105 
      1  -0.619433D+00  0.180472D+01  0.264197D+01 -0.217316D+01  0.991643D+00
      2  -0.209295D+01  0.130158D+01 -0.217316D+01  0.978873D+00 -0.281025D+01
      3   0.130158D+01 -0.324387D+01  0.991643D+00 -0.281025D+01 -0.187246D+01
               106           107           108           109           110 
      1   0.242779D+01  0.112513D+01 -0.195913D+01  0.333244D+01  0.204853D+01
      2   0.112513D+01 -0.187994D+01 -0.311585D+01  0.204853D+01  0.615394D+00
      3  -0.195913D+01 -0.311585D+01  0.291738D+01 -0.185811D+00 -0.432119D+00
               111           112           113           114           115 
      1  -0.185811D+00  0.139781D+01 -0.766397D+00  0.280265D+00  0.157540D+02
      2  -0.432119D+00 -0.766397D+00 -0.384995D-03 -0.272164D+00  0.170029D+01
      3  -0.852530D+00  0.280265D+00 -0.272164D+00 -0.470238D+00 -0.622596D+01
               116           117           118           119           120 
      1   0.170029D+01 -0.622596D+01 -0.282705D+01 -0.156849D+01 -0.143662D+01
      2   0.841180D+00 -0.787373D+00 -0.156849D+01 -0.100448D+01 -0.400661D+00
      3  -0.787373D+00 -0.594973D-01 -0.143662D+01 -0.400661D+00 -0.155791D+01
               121           122           123           124           125 
      1  -0.590030D+01 -0.187032D+01 -0.114209D+01 -0.243522D+01 -0.496786D+00
      2  -0.187032D+01 -0.260435D+01 -0.202054D+01 -0.496786D+00 -0.208697D+01
      3  -0.114209D+01 -0.202054D+01 -0.204515D+01 -0.243831D+01 -0.177539D+01
               126           127           128           129           130 
      1  -0.243831D+01  0.918397D+00  0.186560D+00 -0.999954D+00 -0.376614D+00
      2  -0.177539D+01  0.186560D+00  0.121088D+01 -0.115271D+01  0.146426D+00
      3  -0.375403D+01 -0.999954D+00 -0.115271D+01  0.250909D+01 -0.121299D+00
               131           132           133           134           135 
      1   0.146426D+00 -0.121299D+00 -0.182884D+01  0.330261D+00  0.118529D+00
      2   0.148116D+01 -0.120619D+01  0.330261D+00 -0.215106D+01  0.283623D+01
      3  -0.120619D+01  0.178057D+01  0.118529D+00  0.283623D+01 -0.699042D+01
               136           137           138           139           140 
      1   0.476743D-02  0.312140D+00  0.396485D+00  0.144727D+01 -0.687412D+00
      2   0.312140D+00  0.666611D+00 -0.999497D-01 -0.687412D+00  0.421702D+01
      3   0.396485D+00 -0.999497D-01  0.597599D+00 -0.512829D-01  0.150534D+01
               141           142           143           144           145 
      1  -0.512829D-01  0.166562D+01 -0.957166D+00  0.920490D-01 -0.129531D+02
      2   0.150534D+01 -0.957166D+00  0.302767D+01  0.160776D+01  0.258644D+01
      3   0.180824D+01  0.920490D-01  0.160776D+01  0.192931D+01 -0.235797D+01
               146           147           148           149           150 
      1   0.258644D+01 -0.235797D+01  0.804501D+00 -0.946046D+00 -0.784669D-01
      2  -0.166831D+01  0.652566D+00 -0.946046D+00  0.201304D+00  0.493603D-01
      3   0.652566D+00 -0.164755D+01 -0.784669D-01  0.493603D-01  0.253016D-01
               151           152           153           154           155 
      1  -0.150725D+01  0.135048D+00 -0.128424D+01 -0.182665D+02 -0.371142D+01
      2   0.135048D+00  0.361175D-01  0.517043D+00 -0.371142D+01 -0.250941D+01
      3  -0.128424D+01  0.517043D+00 -0.972999D+00  0.117025D+01  0.825081D+00
               156           157           158           159           160 
      1   0.117025D+01 -0.446786D+01 -0.470629D+01  0.174473D+00  0.167705D+01
      2   0.825081D+00 -0.470629D+01 -0.292695D+01  0.507914D+00  0.548105D+00
      3  -0.309414D+01  0.174473D+00  0.507914D+00 -0.642515D+00 -0.255741D+01
               161           162           163           164           165 
      1   0.548105D+00 -0.255741D+01 -0.152292D+02 -0.186386D+01  0.510290D+01
      2  -0.306491D+00 -0.822545D+00 -0.186386D+01  0.232296D+00 -0.272339D-02
      3  -0.822545D+00  0.264678D+00  0.510290D+01 -0.272339D-02 -0.110349D+01
               166           167           168           169           170 
      1  -0.415368D+01  0.492491D-01  0.785753D+00 -0.439219D+00 -0.727027D+00
      2   0.492491D-01  0.235835D+00  0.138971D+01 -0.727027D+00  0.584528D+00
      3   0.785753D+00  0.138971D+01 -0.222547D+00  0.244080D-01 -0.268187D+00
               171           172           173           174           175 
      1   0.244080D-01  0.123398D+02  0.102622D+01 -0.293916D+01  0.306169D+01
      2  -0.268187D+00  0.102622D+01  0.204051D+00 -0.182686D+00 -0.953312D-01
      3   0.692921D+01 -0.293916D+01 -0.182686D+00  0.324455D+01 -0.893800D+00
               176           177           178           179           180 
      1  -0.953312D-01 -0.893800D+00 -0.736371D+01 -0.500948D+00  0.269567D+01
      2   0.129541D+00  0.666747D+00 -0.500948D+00  0.109067D+01  0.350594D+00
      3   0.666747D+00  0.950514D+00  0.269567D+01  0.350594D+00  0.255276D+00
               181           182           183           184           185 
      1   0.114819D+02  0.172092D+01  0.816146D+00  0.646694D+01  0.231523D+00
      2   0.172092D+01  0.105234D+02  0.815682D+00  0.231523D+00 -0.395098D+01
      3   0.816146D+00  0.815682D+00  0.223369D+01 -0.283452D+00 -0.123779D+01
               186           187           188           189           190 
      1  -0.283452D+00  0.134023D+01 -0.100054D+01  0.460560D+01  0.322791D+02
      2  -0.123779D+01 -0.100054D+01 -0.659780D+00  0.313770D+01  0.205067D+01
      3   0.984981D+00  0.460560D+01  0.313770D+01  0.263188D+01  0.233909D+01
               191           192           193           194           195 
      1   0.205067D+01  0.233909D+01  0.184582D+02  0.921363D+00  0.642574D+00
      2   0.591557D+01  0.543152D+00  0.921363D+00  0.121756D+02  0.145679D+01
      3   0.543152D+00  0.387070D+01  0.642574D+00  0.145679D+01  0.606484D+00
               196           197           198           199           200 
      1   0.557164D+01 -0.872847D+00  0.687649D+01 -0.384524D+02 -0.484586D+01
      2  -0.872847D+00  0.261655D+01  0.101951D+01 -0.484586D+01 -0.721205D+01
      3   0.687649D+01  0.101951D+01  0.215480D+01 -0.415056D+01 -0.921968D+00
               201           202           203           204           205 
      1  -0.415056D+01 -0.201252D+02 -0.350433D+00 -0.183307D+01 -0.842402D+01
      2  -0.921968D+00 -0.350433D+00 -0.528267D+01  0.246869D+00 -0.254505D+00
      3  -0.307337D+00 -0.183307D+01  0.246869D+00 -0.253746D+01 -0.463990D+00
               206           207           208           209           210 
      1  -0.254505D+00 -0.463990D+00 -0.310201D+01  0.763405D+00 -0.385778D+00
      2  -0.575218D+00 -0.356435D+01  0.763405D+00 -0.242637D+01 -0.419656D+00
      3  -0.356435D+01 -0.174676D+01 -0.385778D+00 -0.419656D+00 -0.548836D+00
               211           212           213           214           215 
      1  -0.675052D+00  0.266009D+01  0.544139D+00 -0.611723D+00  0.401243D+00
      2   0.266009D+01  0.153447D+01  0.721731D+00  0.401243D+00 -0.165052D+00
      3   0.544139D+00  0.721731D+00 -0.100794D+01  0.686038D+00  0.433253D+00
               216           217           218           219           220 
      1   0.686038D+00 -0.200750D+01 -0.183276D+01 -0.644175D+00 -0.140368D+01
      2   0.433253D+00 -0.183276D+01  0.304271D+01 -0.483609D+00 -0.121095D+01
      3   0.552826D-01 -0.644175D+00 -0.483609D+00  0.145286D+01 -0.967367D+00
               221           222           223           224           225 
      1  -0.121095D+01 -0.967367D+00 -0.113382D+00 -0.730562D+00 -0.180569D+01
      2  -0.205525D+00 -0.198253D+01 -0.730562D+00 -0.118612D+01  0.380241D+01
      3  -0.198253D+01  0.547782D+01 -0.180569D+01  0.380241D+01  0.245816D+01
               226           227           228           229           230 
      1  -0.110290D+01  0.150331D+01  0.123994D+00  0.584161D+00 -0.148438D+01
      2   0.150331D+01 -0.297434D+01 -0.284001D+00 -0.148438D+01  0.960772D+01
      3   0.123994D+00 -0.284001D+00 -0.301029D+00 -0.314744D+00  0.118329D+01
               231           232           233           234           235 
      1  -0.314744D+00 -0.616743D-01 -0.161200D+00  0.159973D+00  0.585393D+01
      2   0.118329D+01 -0.161200D+00  0.125688D+01  0.414871D+00  0.408852D+01
      3   0.109448D+01  0.159973D+00  0.414871D+00  0.276553D+00  0.132728D+01
               236           237           238           239           240 
      1   0.408852D+01  0.132728D+01  0.476500D+01  0.497041D+01  0.133409D+01
      2   0.389929D+01  0.990024D+00  0.497041D+01  0.661546D+01  0.150564D+01
      3   0.990024D+00  0.940612D+00  0.133409D+01  0.150564D+01  0.126253D+01
               241           242           243           244           245 
      1   0.166338D+01  0.141414D+01  0.940777D-01  0.206294D+01 -0.230955D+01
      2   0.141414D+01  0.157915D+01  0.614626D+00 -0.230955D+01  0.145362D+01
      3   0.940777D-01  0.614626D+00  0.349563D+00 -0.208011D+00 -0.260013D-01
               246           247           248           249           250 
      1  -0.208011D+00 -0.387202D+01  0.323159D+01  0.267680D+00 -0.482251D+00
      2  -0.260013D-01  0.323159D+01 -0.606830D+01 -0.670402D+00  0.280178D+00
      3   0.133163D+00  0.267680D+00 -0.670402D+00 -0.760693D+00  0.322829D-01
               251           252           253           254           255 
      1   0.280178D+00  0.322829D-01  0.159860D+02 -0.546884D+00  0.144216D+01
      2  -0.948604D+00 -0.198253D-01 -0.546884D+00  0.977507D+00 -0.560572D-01
      3  -0.198253D-01 -0.923809D-01  0.144216D+01 -0.560572D-01  0.134730D+01
               256           257           258           259           260 
      1   0.207924D+01  0.107353D+01  0.174831D+00  0.199284D+01 -0.830644D-01
      2   0.107353D+01  0.354984D+00  0.261599D+00 -0.830644D-01  0.319469D+00
      3   0.174831D+00  0.261599D+00  0.474621D-01  0.164243D+01 -0.359951D+00
               261           262           263           264           265 
      1   0.164243D+01 -0.196276D+00  0.382861D+00 -0.698359D+00 -0.908958D+00
      2  -0.359951D+00  0.382861D+00 -0.185824D+00  0.210016D+00  0.152526D+01
      3   0.365241D+00 -0.698359D+00  0.210016D+00 -0.577074D+00  0.118329D+01
               266           267           268           269           270 
      1   0.152526D+01  0.118329D+01 -0.467735D+01  0.214533D+01  0.309677D+01
      2  -0.169009D+01 -0.136808D+01  0.214533D+01 -0.187086D+01 -0.232312D+01
      3  -0.136808D+01 -0.213187D+01  0.309677D+01 -0.232312D+01 -0.579870D+01
               271           272           273           274           275 
      1  -0.136581D+01  0.609315D+00  0.386422D+00 -0.164305D+01  0.208766D+01
      2   0.609315D+00 -0.930325D+00  0.727352D+00  0.208766D+01 -0.393273D+01
      3   0.386422D+00  0.727352D+00 -0.131589D+01 -0.995777D+00  0.267508D+01
               276           277           278           279 
      1  -0.995777D+00  0.282712D+01 -0.153478D+01  0.177646D+01
      2   0.267508D+01 -0.153478D+01  0.270462D+01 -0.280371D+01
      3  -0.284038D+01  0.177646D+01 -0.280371D+01  0.362694D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.393720D+01 -0.328090D+01  0.559661D+00 -0.776116D+01 -0.672385D+01
      2  -0.916935D+01 -0.358930D+01 -0.144441D+01  0.113096D+02  0.175537D+00
      3  -0.293250D+02  0.211111D+02  0.703144D+00  0.409127D+02  0.197926D+02
                 6             7             8             9            10 
      1  -0.193131D+01  0.368416D+01  0.612728D+01  0.121682D+01 -0.143806D+01
      2  -0.101843D+01 -0.180766D+02 -0.295504D+01 -0.279760D+01  0.214996D+02
      3   0.625472D+01  0.261051D+01  0.717531D+01 -0.261549D+00  0.253937D+01
                11            12            13            14            15 
      1  -0.578753D+01 -0.111428D+01 -0.503039D+01 -0.185421D+01  0.316888D+00
      2  -0.751945D+00 -0.484264D+01 -0.183544D+02 -0.515178D+01 -0.252616D+01
      3   0.272731D+02  0.328001D+01  0.466754D+02  0.231543D+02  0.861551D+01
                16            17            18            19            20 
      1   0.381574D+01  0.718557D+01  0.228877D+01 -0.479368D+01  0.681112D+00
      2  -0.230723D+02 -0.348982D+01 -0.327586D+01  0.161528D+02  0.599807D+01
      3   0.570417D+01  0.828826D+01  0.278742D+01  0.311119D+02 -0.168088D+02
                21            22            23            24            25 
      1  -0.647687D+00 -0.636373D+00 -0.318287D+01 -0.258448D+01  0.766886D+01
      2   0.111433D+01  0.150865D+02  0.223627D+01 -0.898513D+00 -0.145328D+02
      3   0.574606D+00  0.949691D+01  0.233346D+01  0.486315D+00 -0.893339D+00
                26            27            28            29            30 
      1   0.275980D+01 -0.218033D+01 -0.812430D+00 -0.146199D+01 -0.184716D+00
      2  -0.630856D+01 -0.285114D+01 -0.303961D+02 -0.448473D+01  0.200809D+00
      3  -0.359546D+01  0.153258D+01 -0.596126D+01  0.742652D+01  0.108377D+01
                31            32            33            34            35 
      1  -0.660529D+01  0.286287D+01  0.320748D+01 -0.227022D+01  0.142678D+02
      2  -0.686834D+01  0.205357D+01  0.407725D+00 -0.165230D+02 -0.439826D+00
      3   0.241793D+02 -0.584310D+01 -0.470064D+01  0.198252D+01 -0.178913D+00
                36            37            38            39            40 
      1   0.365424D+01 -0.125973D+01  0.525081D+01 -0.366112D+01  0.412621D+01
      2  -0.896422D+00 -0.105395D+01  0.378144D+00  0.185700D+01 -0.467411D+01
      3  -0.188243D+01  0.210617D+02 -0.541814D+01 -0.135098D+01  0.101391D+01
                41            42            43            44            45 
      1  -0.372020D+01 -0.216531D+01 -0.150562D+02  0.454213D+01 -0.741417D+00
      2  -0.455742D+01  0.881757D+00 -0.112056D+02  0.683282D+01 -0.380533D+00
      3   0.931983D+01  0.389211D+01 -0.461064D+00  0.257115D+01  0.524816D+01
                46            47            48            49            50 
      1   0.232600D+01 -0.845323D+00  0.434759D+01  0.120211D+01  0.383047D+01
      2   0.724276D+01  0.246648D+01  0.235862D+01  0.288142D+01  0.251956D+01
      3  -0.346996D+02 -0.220840D+02 -0.479218D+01 -0.107861D+02 -0.207191D+02
                51            52            53            54            55 
      1  -0.243254D+01  0.102768D+02 -0.219709D+01  0.261048D+01  0.247657D+01
      2   0.146252D+01 -0.160826D+02  0.294739D+00  0.227040D+00  0.521458D+01
      3  -0.400153D+01 -0.828412D+01 -0.565393D+01 -0.695125D+01 -0.258371D+02
                56            57            58            59            60 
      1   0.368792D+01  0.673496D+01 -0.134830D+01  0.360532D+01 -0.233344D+01
      2   0.401449D+00 -0.468948D+01  0.413186D+01  0.242827D+01  0.360711D+01
      3  -0.116315D+02 -0.302726D+01 -0.135138D+01 -0.200463D+02 -0.881960D+00
                61            62            63            64            65 
      1   0.918768D+01 -0.165908D+01  0.137627D+01 -0.256097D+00 -0.739461D+00
      2  -0.211502D+02  0.436231D+01  0.239059D+00  0.709200D+00  0.216474D+00
      3  -0.475333D+01 -0.251578D+01 -0.128054D+02 -0.234138D+01  0.160014D+01
                66            67            68            69            70 
      1   0.955979D+00  0.293514D+00 -0.149526D+01 -0.370295D+01  0.227957D+00
      2  -0.567770D-02  0.631168D+00 -0.940513D+00 -0.164719D+01 -0.274523D+01
      3  -0.157361D+00  0.662842D+01  0.370197D+01  0.818151D+00 -0.320000D-01
                71            72            73            74            75 
      1   0.182031D+01  0.371384D-01  0.283646D+00  0.136426D+01 -0.220227D+01
      2   0.782156D+00 -0.111189D+00 -0.360340D+01 -0.117595D+01  0.122014D+01
      3   0.866777D+00 -0.608610D+00  0.766690D+01 -0.325928D+00  0.639713D+00
                76            77            78            79            80 
      1   0.131489D+01  0.263285D+01 -0.299946D+01  0.303177D+01  0.214680D+01
      2  -0.176872D+01 -0.127869D+01  0.211326D+01 -0.323527D+01 -0.353806D+00
      3   0.206185D+01 -0.235867D+01 -0.108326D-01  0.158743D+01 -0.395084D+00
                81            82            83            84            85 
      1   0.815204D-01  0.137093D+01 -0.177130D+01  0.151278D+01 -0.580902D+00
      2   0.749255D+00  0.155482D+01 -0.119347D+01  0.805386D+00 -0.118038D+01
      3  -0.915817D+00 -0.622451D+01  0.231458D+01  0.984771D-01  0.580085D+01
                86            87            88            89            90 
      1   0.394017D+01 -0.413061D+01 -0.127113D+01  0.268331D+01 -0.403396D+00
      2   0.190833D+01 -0.994393D+00 -0.721524D+00 -0.619762D+00 -0.433087D+00
      3  -0.352168D+01 -0.104402D+01 -0.294533D+00 -0.841006D+00  0.778048D+00
                91            92            93            94            95 
      1  -0.412447D+00 -0.141515D+01  0.297032D+00  0.223988D+01 -0.108049D+00
      2   0.231175D+02  0.380800D+01 -0.866106D+01  0.245847D+01 -0.707220D+01
      3   0.537339D+01 -0.160859D+01 -0.957613D+00  0.172627D+02 -0.534900D+01
                96            97            98            99           100 
      1  -0.265008D+01  0.344058D+00  0.391354D+01 -0.400414D+01 -0.172693D+01
      2  -0.297396D+01 -0.389408D+02 -0.866025D+01  0.308232D+01  0.180084D+01
      3   0.113301D+02 -0.228789D+01  0.110225D+02  0.846435D+01  0.144898D+02
               101           102           103           104           105 
      1   0.277885D+01  0.262121D+01  0.682234D+00  0.374523D+01  0.620852D+01
      2  -0.485696D+01  0.161486D+02 -0.150868D+01  0.763603D+01  0.831118D+01
      3  -0.160160D+02  0.828378D+01 -0.886352D+01 -0.165197D+01 -0.119526D+02
               106           107           108           109           110 
      1  -0.934955D+00  0.101696D+02  0.580392D-01  0.610441D+01  0.150308D+01
      2   0.731583D+01  0.126799D+02 -0.126209D+02 -0.213831D+02 -0.399967D+01
      3   0.631750D+01 -0.772455D+01 -0.169232D+02 -0.160417D+01  0.146131D+02
               111           112           113           114           115 
      1   0.615288D+01  0.122490D+02  0.551849D+01 -0.163004D+02  0.373284D+01
      2   0.248305D+00 -0.205355D+01 -0.376566D+00 -0.521650D+01  0.246641D+02
      3   0.750977D+00  0.123209D+02  0.111601D+02 -0.284540D+01  0.534033D+01
               116           117           118           119           120 
      1  -0.446742D+01 -0.253172D+01  0.450413D+00  0.119809D+01  0.177503D+00
      2   0.430671D+00  0.675722D+00  0.371145D+01  0.611705D+00  0.584532D+01
      3  -0.359642D+01 -0.257129D+01 -0.716173D+01 -0.580174D+01 -0.171764D+01
               121           122           123           124           125 
      1   0.245141D-01  0.219228D+01  0.145203D+00 -0.108371D+00  0.287363D+01
      2  -0.111126D+01  0.524065D+01  0.657833D+01  0.507757D+01  0.530646D+01
      3  -0.231433D+01 -0.896256D+01 -0.713022D+01 -0.124608D+01 -0.865107D+01
               126           127           128           129           130 
      1   0.718159D+00  0.590020D+00 -0.154142D+01 -0.237596D+01 -0.151941D+00
      2   0.101572D+02  0.703545D+01  0.366027D+01 -0.925713D+01  0.558555D+00
      3  -0.693296D+01  0.358802D+01  0.546040D+01 -0.621620D+01  0.317218D+01
               131           132           133           134           135 
      1  -0.480407D+00 -0.269362D+01 -0.134924D+01  0.144052D+01  0.623937D+01
      2   0.451756D+01 -0.667302D+01 -0.570349D+01 -0.953694D+01  0.245256D+02
      3   0.590115D+01 -0.537060D+01 -0.301192D+01 -0.773502D+01  0.129943D+02
               136           137           138           139           140 
      1  -0.151660D+01 -0.843948D+00 -0.154299D+01  0.807549D-01 -0.745624D+01
      2  -0.232711D+01  0.789010D+00 -0.168162D+01  0.891999D+00 -0.616671D+01
      3   0.439011D+01  0.357196D+01  0.108763D+01  0.266302D+01  0.171379D+02
               141           142           143           144           145 
      1  -0.728573D+01  0.116235D+00 -0.493477D+01 -0.705964D+01  0.558119D+00
      2  -0.659480D+01 -0.125693D+01 -0.630447D+01 -0.704341D+01 -0.631838D+01
      3   0.701847D+01  0.144985D+01  0.120313D+02  0.838079D+01 -0.854122D+01
               146           147           148           149           150 
      1   0.183195D+01  0.191552D+01  0.101056D+01 -0.205005D+00 -0.124754D+01
      2  -0.623479D-01  0.647947D+01  0.789110D+00 -0.174879D+01 -0.800086D-01
      3  -0.675028D+01 -0.341042D+00 -0.128582D+01 -0.291562D+00  0.144675D+01
               151           152           153           154           155 
      1   0.112127D+01 -0.271489D+00  0.281609D+00 -0.412446D+01 -0.132124D+01
      2   0.247249D+01 -0.158490D+01  0.254903D+01  0.103863D+02  0.204394D+00
      3  -0.166283D+01  0.907103D+00  0.560544D+00 -0.598274D+01 -0.251634D+02
               156           157           158           159           160 
      1  -0.595308D+01 -0.900052D+01 -0.345579D+01  0.293214D-01 -0.276901D+01
      2   0.242376D+02 -0.180208D+01  0.124773D+01  0.679259D+01  0.623518D+01
      3   0.137332D+01 -0.170090D+02 -0.154958D+02  0.175057D+01  0.209266D+00
               161           162           163           164           165 
      1   0.261424D+01  0.321245D+00 -0.701786D+01 -0.244222D+01  0.471675D+00
      2   0.357396D+01 -0.148805D+01  0.966123D+01  0.400868D+01  0.194643D+01
      3   0.208256D+01 -0.207615D+01 -0.639682D+01 -0.352010D+01 -0.787269D-01
               166           167           168           169           170 
      1  -0.541312D+01 -0.379837D+00  0.466242D+01  0.161073D+01  0.823844D+01
      2   0.465204D+01 -0.604082D+01  0.157071D+01 -0.118284D+02  0.692945D+00
      3   0.136681D+01 -0.912929D-01  0.640644D+01 -0.228200D+01  0.259583D+01
               171           172           173           174           175 
      1   0.303666D+01  0.759951D+01  0.257328D+01 -0.158019D+01  0.668604D+01
      2  -0.225857D+02 -0.215823D+02 -0.262916D+01 -0.646319D+01 -0.511416D+01
      3  -0.388028D+00  0.350110D+01  0.201359D+01 -0.120582D+01  0.552308D+01
               176           177           178           179           180 
      1   0.842685D+00 -0.284158D+01 -0.171997D+01 -0.120703D+01  0.700198D+00
      2  -0.252997D+01 -0.186849D+01 -0.944465D+00  0.284684D+00 -0.172220D+01
      3   0.113441D+00  0.669337D+00 -0.199028D+01 -0.808572D+00  0.690326D+00
               181           182           183           184           185 
      1  -0.762414D+00 -0.143119D+01 -0.626965D+01  0.408178D+01 -0.285090D+01
      2  -0.156548D+01  0.946972D+00  0.694324D+01  0.305414D+01 -0.816666D+01
      3   0.245291D+02 -0.118409D+02  0.977189D+00 -0.748226D+01  0.265874D+02
               186           187           188           189           190 
      1  -0.161564D+01 -0.157325D+02  0.480956D+01 -0.302650D+01 -0.131780D+01
      2   0.160061D+01 -0.409962D+00  0.107145D+02  0.462633D+01  0.943958D+01
      3   0.438910D+01 -0.610301D+00  0.593605D+01  0.211484D+01  0.704727D+01
               191           192           193           194           195 
      1  -0.608790D+01 -0.164799D+01 -0.802450D+01 -0.435889D+01  0.306598D+01
      2  -0.342438D+01  0.120365D+01 -0.294530D+01  0.526890D+01  0.114325D+01
      3   0.200359D+02  0.447080D+01  0.550400D+02 -0.220527D+02  0.254435D+01
               196           197           198           199           200 
      1   0.159071D+01  0.126981D+02  0.318031D+01  0.201037D+00  0.403759D+01
      2   0.892981D+00  0.270128D+01  0.323752D+01 -0.142392D+02  0.115739D+01
      3   0.114920D+02  0.110614D+01 -0.192674D+00  0.315398D+01 -0.176356D+02
               201           202           203           204           205 
      1   0.699140D+00  0.149802D+01  0.203864D+01 -0.310351D+01  0.314188D+01
      2   0.313935D+01 -0.552944D+00  0.287458D+01 -0.479935D+01 -0.213665D+02
      3  -0.248699D+01 -0.130409D+02 -0.728459D+00 -0.403391D+01 -0.570578D+01
               206           207           208           209           210 
      1   0.363129D+01  0.742689D+00  0.142251D+01  0.590444D+01  0.188010D+01
      2  -0.124691D+02 -0.590821D+01  0.103640D+01  0.499630D+01  0.120082D+02
      3  -0.541308D+01  0.457590D+01 -0.117767D+02 -0.400903D+02 -0.624284D+01
               211           212           213           214           215 
      1   0.119240D+01  0.145238D+01 -0.693890D+01 -0.279866D+01 -0.148485D-01
      2   0.216030D+01  0.227808D+01 -0.770386D+01 -0.429090D+01  0.479197D+01
      3  -0.459589D+01 -0.386733D+01 -0.301773D+01 -0.356918D+01 -0.494694D+01
               216           217           218           219           220 
      1  -0.154445D+01 -0.231833D+01 -0.146086D+01  0.155044D+01  0.829436D+00
      2   0.638127D+00 -0.693326D+01 -0.349328D+01  0.747370D+01 -0.416302D+01
      3  -0.229088D+01  0.333473D+02 -0.103517D+02  0.775337D+01  0.409650D+01
               221           222           223           224           225 
      1  -0.708030D+00  0.890880D+01 -0.130513D+02  0.980710D+01  0.484913D+01
      2  -0.715772D+01  0.328876D+02 -0.865048D+01  0.217507D+02  0.155880D+02
      3  -0.220926D+02  0.915750D+01  0.607050D+01  0.588797D+01 -0.275671D+02
               226           227           228           229           230 
      1   0.492958D+00 -0.553805D+00  0.180342D+01  0.400695D+00  0.121999D+00
      2   0.111835D+01 -0.899459D+00  0.202327D+00 -0.112905D+01  0.318450D+01
      3  -0.848120D+01  0.721098D+01  0.397542D+00  0.682724D+01 -0.203751D+02
               231           232           233           234           235 
      1  -0.485297D+01 -0.924383D+00  0.209739D+01 -0.554657D+00 -0.133523D+01
      2   0.794657D+00 -0.891399D-02  0.531711D+00  0.190482D+00  0.181276D+01
      3  -0.309305D+01  0.213505D-01 -0.246578D+01  0.246247D-01  0.415371D+00
               236           237           238           239           240 
      1  -0.554855D-01 -0.280049D+01 -0.861747D+00  0.119474D+00 -0.376249D+01
      2   0.181315D+01  0.378761D+01  0.261279D+01  0.315049D+01  0.495010D+01
      3  -0.657875D+01 -0.649679D+00 -0.575580D+01 -0.137429D+02 -0.244156D+01
               241           242           243           244           245 
      1   0.265480D+01  0.117751D+01 -0.368012D+00  0.532018D+00 -0.498892D+00
      2  -0.241254D+01  0.169805D+01  0.134756D+01  0.660777D+00 -0.576830D+00
      3  -0.913845D+00 -0.264549D+01 -0.194712D+01  0.584684D+00 -0.257497D+01
               246           247           248           249           250 
      1   0.859284D+00 -0.713638D+00  0.389309D+00 -0.326338D+01  0.249656D+00
      2   0.471126D+00 -0.763687D+00 -0.141357D+01 -0.269656D+01 -0.170922D+01
      3  -0.181712D+00  0.987308D-01  0.148686D+02  0.212273D+01 -0.117523D+00
               251           252           253           254           255 
      1   0.159594D+01 -0.123808D+00  0.142958D+01  0.601283D+00  0.137456D+01
      2   0.109261D+01 -0.226260D+00  0.534241D+01 -0.290074D-01  0.100741D+02
      3   0.285714D+01 -0.191549D+00 -0.123374D+02 -0.882250D+01 -0.143530D+01
               256           257           258           259           260 
      1   0.220873D+00  0.466078D+00 -0.692329D+00  0.178886D+01 -0.111481D-01
      2   0.550186D+00  0.126177D+01  0.275289D+00  0.728304D+01 -0.184146D+01
      3  -0.584597D+01 -0.321131D+01 -0.169688D+01 -0.146936D+01 -0.238207D+01
               261           262           263           264           265 
      1   0.856522D-01 -0.334299D+00  0.862107D-01 -0.131404D+01  0.883150D+00
      2   0.179929D+01 -0.593165D+01  0.117552D+01 -0.263510D+01  0.594412D+01
      3   0.147847D+01 -0.569152D+00  0.289739D+01  0.276898D+00 -0.532177D+01
               266           267           268           269           270 
      1  -0.197790D+01 -0.425672D+01  0.509018D+01 -0.134760D+01 -0.984105D+01
      2  -0.782897D+01 -0.125066D+02  0.111649D+02 -0.135379D+02 -0.328696D+02
      3   0.132135D+02  0.885228D+01 -0.742121D+01  0.134222D+02  0.167776D+02
               271           272           273           274           275 
      1  -0.348545D+00  0.397438D-01 -0.261929D+01 -0.698990D+00  0.942416D+00
      2   0.481750D+01  0.279125D+01 -0.613626D+01 -0.372252D+01  0.124485D+02
      3   0.435698D+00  0.803250D+01 -0.516562D+01 -0.633740D+01  0.271222D+02
               276           277           278           279 
      1  -0.470843D+01  0.265603D+01 -0.102749D+01  0.515656D+01
      2  -0.151789D+02  0.461123D+01 -0.144248D+02  0.177666D+02
      3  -0.157222D+02  0.422120D+01 -0.172012D+02  0.180981D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.754642D+02 -0.290039D+02 -0.103190D+02  0.814367D+02 -0.332448D+00
      2   0.386396D+02  0.173663D+02  0.768315D+01 -0.366445D+02  0.113361D+02
      3   0.368246D+02  0.116376D+02  0.263590D+01 -0.447923D+02 -0.110037D+02
      4  -0.329424D+01  0.145725D+02  0.344793D+01  0.106613D+02  0.218311D+02
      5  -0.983043D+01  0.117918D+01 -0.319482D+01  0.985707D+00  0.211704D+01
      6  -0.162241D+01  0.384038D+01 -0.623729D+00 -0.168278D+01 -0.154919D+00
                 6             7             8             9            10 
      1   0.101186D+02  0.422040D+01 -0.155863D+01 -0.868446D+01  0.961473D+02
      2  -0.177975D+01  0.486208D+00  0.350965D+01 -0.807063D-01 -0.389408D+02
      3  -0.833889D+01 -0.470660D+01 -0.195102D+01  0.876517D+01 -0.572064D+02
      4   0.536939D+01  0.175626D+01  0.423855D+01  0.271254D+01 -0.255910D+02
      5  -0.363593D+01 -0.393080D+00  0.172052D+01 -0.332878D+01  0.657784D+01
      6  -0.102934D+00 -0.307595D+01  0.487437D+01 -0.244389D+01 -0.106677D+00
                11            12            13            14            15 
      1  -0.145366D+02  0.904763D+01 -0.828533D+02 -0.268956D+02 -0.116604D+02
      2   0.109229D+02 -0.159539D+01  0.316665D+02  0.169414D+02  0.774961D+01
      3   0.361367D+01 -0.745224D+01  0.511868D+02  0.995417D+01  0.391079D+01
      4   0.109974D+02  0.233758D+01 -0.268232D+02 -0.191217D+02 -0.456218D+01
      5   0.392653D+01 -0.113048D+02 -0.370094D+01 -0.844712D+00  0.113720D+01
      6   0.334764D+00  0.431771D+00 -0.175791D+01  0.472430D+01 -0.920297D+00
                16            17            18            19            20 
      1  -0.274336D+01 -0.490607D+01 -0.695545D+01  0.388744D+02  0.369563D+02
      2   0.322144D+01  0.275929D+01 -0.156034D+01 -0.187156D+02 -0.240807D+02
      3  -0.478075D+00  0.214677D+01  0.851579D+01 -0.201588D+02 -0.128756D+02
      4  -0.783183D+01 -0.173024D+01 -0.512193D+01  0.826695D+01 -0.185579D+02
      5   0.206972D+01 -0.308244D+01 -0.465543D+01  0.857248D+01  0.161408D+01
      6  -0.293208D+01  0.483578D+01 -0.139835D+01  0.281441D+01 -0.812152D+01
                21            22            23            24            25 
      1   0.140913D+02 -0.149934D+02  0.200615D+02  0.102316D+02  0.237796D+01
      2  -0.786774D+01  0.223337D+02 -0.222508D+02 -0.597387D+01  0.564154D+01
      3  -0.622357D+01 -0.734027D+01  0.218930D+01 -0.425769D+01 -0.801950D+01
      4  -0.119547D+01  0.861343D+01 -0.677014D+00  0.206474D+01  0.666511D+01
      5   0.191511D-01  0.583223D+01  0.290633D+01 -0.488456D+01  0.107666D+02
      6  -0.116571D+01  0.684912D+01 -0.919316D+01  0.424922D+01  0.810588D+00
                26            27            28            29            30 
      1   0.166117D+02 -0.419055D+01  0.305759D+02  0.593619D+01 -0.919113D+01
      2  -0.102945D+02 -0.483314D+01 -0.348404D+02 -0.218220D+01  0.339844D+01
      3  -0.631717D+01  0.902369D+01  0.426448D+01 -0.375399D+01  0.579269D+01
      4   0.716053D+00 -0.449838D+01  0.141808D+02  0.111927D+02  0.170339D+01
      5  -0.724774D+01 -0.487273D+01 -0.863794D+01  0.209951D+01  0.651976D+01
      6   0.803609D+01 -0.394837D+01 -0.690783D+01  0.331745D+01  0.142915D+01
                31            32            33            34            35 
      1  -0.214271D+02 -0.528377D+02 -0.118510D+02 -0.148631D+02 -0.116110D+02
      2   0.130027D+02  0.427109D+02  0.130127D+02 -0.375273D+00  0.853119D+01
      3   0.842437D+01  0.101268D+02 -0.116174D+01  0.152384D+02  0.307985D+01
      4  -0.311761D+02  0.161796D+02  0.472590D+01 -0.102206D+02  0.560546D+01
      5  -0.132974D+02  0.822858D+00 -0.793567D-01  0.220120D+02  0.451153D+01
      6  -0.342056D+01  0.138819D+02  0.147506D+00 -0.101682D+01  0.711711D+01
                36            37            38            39            40 
      1  -0.789166D+01 -0.115634D+02 -0.612209D+02 -0.132491D+02  0.281202D+02
      2  -0.625126D+01  0.529018D+01  0.425516D+02  0.410223D+01 -0.252724D+02
      3   0.141429D+02  0.627322D+01  0.186692D+02  0.914690D+01 -0.284777D+01
      4   0.224812D+01 -0.248413D+02  0.502380D+00 -0.484632D+01  0.199961D+02
      5   0.195723D+01 -0.391519D+00 -0.753468D+01  0.120972D+01 -0.475178D+00
      6  -0.171504D+01 -0.579188D+01  0.757865D+01  0.950227D+01 -0.647589D+01
                41            42            43            44            45 
      1   0.296319D+02  0.669564D+01 -0.128358D+01 -0.573511D+01 -0.178406D+02
      2  -0.254530D+02 -0.741568D+01 -0.115767D+02 -0.398049D+01 -0.920578D+00
      3  -0.417893D+01  0.720044D+00  0.128603D+02  0.971560D+01  0.187611D+02
      4  -0.215123D+02 -0.664181D+01 -0.951100D+01 -0.782928D+01  0.435364D+01
      5  -0.482888D+01  0.488900D+01  0.123905D+02  0.448451D+01  0.601611D+01
      6  -0.118774D+02 -0.817670D+00  0.140237D+02  0.104525D+02  0.764062D+01
                46            47            48            49            50 
      1   0.149462D+02  0.501641D+02  0.157467D+02 -0.175259D+02  0.760291D+01
      2  -0.103208D+02 -0.312294D+02 -0.432718D+01  0.148130D+02 -0.130903D+02
      3  -0.462537D+01 -0.189347D+02 -0.114195D+02  0.271298D+01  0.548740D+01
      4   0.265371D+02 -0.120377D+02  0.249824D+00  0.155281D+02  0.119985D+02
      5  -0.555332D+01 -0.599259D+00  0.169683D+01 -0.131550D+01  0.231113D+01
      6   0.170097D+01 -0.109919D+02 -0.104867D+02  0.497032D+01 -0.777728D+01
                51            52            53            54            55 
      1   0.319596D+01  0.110285D+01  0.979427D+01 -0.200168D+02 -0.163432D+02
      2  -0.582808D+01  0.242959D+01 -0.174136D+02  0.637530D+01  0.140278D+01
      3   0.263212D+01 -0.353244D+01  0.761932D+01  0.136415D+02  0.149404D+02
      4   0.397355D+01  0.589470D+01 -0.119573D+01 -0.291960D+01 -0.131951D+02
      5   0.529396D+00  0.414273D+01 -0.121821D+01 -0.434172D+01  0.383018D+01
      6   0.500436D+01 -0.387676D+01  0.170203D+02  0.532404D+01  0.180924D+01
                56            57            58            59            60 
      1   0.348745D+02  0.792569D+01 -0.395302D+01  0.169436D+02  0.672471D+01
      2  -0.290029D+02 -0.282547D+01  0.626961D+01 -0.191978D+02 -0.691126D+01
      3  -0.587161D+01 -0.510022D+01 -0.231658D+01  0.225423D+01  0.186549D+00
      4  -0.530884D+02 -0.845923D+01  0.134970D+02  0.913848D+01 -0.636407D+00
      5  -0.459544D+01 -0.889758D+01  0.453260D+01 -0.731539D+00  0.474485D+01
      6  -0.576270D+01 -0.116386D+02  0.343297D+01 -0.806176D+01  0.627891D+01
                61            62            63            64            65 
      1  -0.201164D+00  0.110759D+02 -0.252239D+02  0.291386D+01  0.395308D+00
      2   0.977951D+00 -0.159364D+02  0.110000D+02  0.132083D+01 -0.247786D+01
      3  -0.776787D+00  0.486045D+01  0.142240D+02 -0.423470D+01  0.208255D+01
      4   0.269125D+00 -0.115286D+02  0.719433D+01 -0.986714D+01  0.972417D+01
      5  -0.642814D+00  0.117795D+02 -0.735603D+00  0.281981D+01 -0.915688D+00
      6  -0.417615D+01  0.203114D+02  0.879173D+00 -0.166842D+01  0.147992D+01
                66            67            68            69            70 
      1   0.986612D+00  0.343955D+01 -0.197907D+02 -0.927546D+00  0.334511D+01
      2  -0.464538D+00 -0.801804D+01  0.266667D+02  0.783871D+00 -0.255949D+01
      3  -0.522075D+00  0.457849D+01 -0.687596D+01  0.143675D+00 -0.785618D+00
      4  -0.203335D+00  0.142404D+02 -0.193049D+02 -0.656472D+00  0.580153D+00
      5   0.106403D+01 -0.681330D+00 -0.614127D+00 -0.267963D+01  0.403030D+00
      6  -0.935303D+00  0.165168D+01 -0.225235D+01  0.498130D+01 -0.198166D+01
                71            72            73            74            75 
      1  -0.312251D+01 -0.282090D+01  0.111037D+01 -0.574777D+01 -0.236912D+01
      2   0.316707D+01  0.280946D+01  0.486383D+01  0.108381D+02  0.161426D+01
      3  -0.445623D-01  0.114482D-01 -0.597420D+01 -0.509035D+01  0.754858D+00
      4  -0.215302D+01 -0.118761D+01  0.215903D+02  0.206834D+02  0.564218D+01
      5  -0.347639D+00 -0.354764D+00  0.834192D+01  0.590936D+01  0.542979D+01
      6   0.204498D+01  0.108910D+01  0.733081D+01  0.767942D+01  0.508759D+01
                76            77            78            79            80 
      1  -0.914049D+01 -0.206697D+02 -0.662771D+01 -0.617984D+00 -0.430852D+01
      2   0.152884D+02  0.293357D+02  0.538103D+01  0.365666D+01  0.527666D+01
      3  -0.614789D+01 -0.866602D+01  0.124667D+01 -0.303867D+01 -0.968149D+00
      4   0.232409D+02  0.287942D+02  0.693183D+01  0.719054D+01  0.692002D+01
      5   0.660617D+01  0.720164D+01  0.535880D+01  0.237479D+01  0.359744D+01
      6   0.981827D+01  0.142248D+02  0.922601D+01  0.161553D+01  0.560814D+01
                81            82            83            84            85 
      1  -0.214967D+01 -0.483292D+01  0.100614D+02  0.114117D+01  0.828132D+01
      2   0.225877D+01  0.780760D+01 -0.146360D+02 -0.108657D+01 -0.103731D+02
      3  -0.109099D+00 -0.297468D+01  0.457458D+01 -0.546011D-01  0.209174D+01
      4   0.438904D+01 -0.761382D+01  0.148252D+02  0.211285D+01  0.993006D+01
      5   0.246479D+01 -0.259002D+01  0.366281D+01  0.275234D+01  0.265707D+01
      6   0.351107D+01  0.253633D+01 -0.354300D+01 -0.279819D+01 -0.358822D+01
                86            87            88            89            90 
      1  -0.444462D+02 -0.778307D+01  0.946673D+00 -0.633133D+01 -0.258663D+01
      2   0.578648D+02  0.689092D+01 -0.153069D+01  0.732760D+01  0.244661D+01
      3  -0.134186D+02  0.892149D+00  0.584013D+00 -0.996277D+00  0.140019D+00
      4  -0.201380D+02 -0.311788D+01  0.161255D+01 -0.995290D+00 -0.224982D+01
      5  -0.630901D+01 -0.277254D+01  0.155559D+01 -0.250909D+01 -0.782207D+00
      6   0.154735D+02  0.991681D+01 -0.210773D+00  0.535091D+01  0.229511D+01
                91            92            93            94            95 
      1  -0.393062D+02 -0.174795D+02  0.125062D+02 -0.872091D+01 -0.343093D+01
      2   0.319400D+02  0.150411D+02 -0.628550D+01  0.103095D+02  0.325901D+01
      3   0.736623D+01  0.243844D+01 -0.622068D+01 -0.158857D+01  0.171923D+00
      4  -0.205917D+02 -0.136696D+02  0.222143D+01 -0.234387D+02  0.913923D+01
      5   0.140871D+02  0.156528D+01 -0.212370D+02 -0.344057D+01 -0.240510D+02
      6   0.226503D+01 -0.530278D+01  0.610957D-01 -0.619061D+01  0.143915D+01
                96            97            98            99           100 
      1  -0.355512D+01  0.304695D+02  0.586265D+01 -0.174185D+02 -0.626217D+02
      2   0.655102D+01 -0.220702D+02  0.424866D+00  0.117175D+02  0.367461D+02
      3  -0.299590D+01 -0.839930D+01 -0.628752D+01  0.570103D+01  0.258756D+02
      4  -0.245568D+02  0.623410D+01 -0.200545D+02 -0.153180D+02  0.200086D+02
      5  -0.574997D+01 -0.383420D+02 -0.155020D+02 -0.397995D+01 -0.296768D+02
      6  -0.913129D+01 -0.854934D+01 -0.226224D+01 -0.752453D+01  0.381442D+01
               101           102           103           104           105 
      1   0.203833D+02 -0.278996D+02 -0.174229D+01  0.983792D+01 -0.313373D+01
      2  -0.145707D+02  0.872143D+01 -0.311641D+01 -0.680590D+01 -0.144071D+02
      3  -0.581268D+01  0.191782D+02  0.485869D+01 -0.303202D+01  0.175408D+02
      4   0.165393D+02 -0.388717D+01  0.187209D+02 -0.117421D+02  0.247653D+02
      5  -0.497680D+01  0.200992D+02 -0.693608D+01  0.251588D+02  0.106535D+02
      6   0.604548D+01 -0.120896D+02  0.822051D+01 -0.102974D+02 -0.437192D+01
               106           107           108           109           110 
      1  -0.203721D+02 -0.720305D+01  0.345546D+02 -0.905718D+02 -0.181574D+02
      2   0.101027D+02 -0.110328D+02 -0.160392D+02  0.333807D+02  0.247594D-01
      3   0.102694D+02  0.182358D+02 -0.185154D+02  0.571911D+02  0.181326D+02
      4  -0.540147D+01  0.161708D+02  0.154340D+02 -0.349135D+02 -0.262616D+02
      5   0.118143D+02  0.193160D+02 -0.121031D+02  0.154096D+02  0.779903D+01
      6  -0.601397D+01 -0.947587D+01  0.147712D+02  0.190494D+01  0.201594D+01
               111           112           113           114           115 
      1   0.974869D+01 -0.215520D+02 -0.978801D+01  0.424462D+01 -0.476968D+02
      2  -0.191526D+01  0.492102D+01  0.576797D+01 -0.755094D+00  0.360297D+02
      3  -0.783343D+01  0.166310D+02  0.402005D+01 -0.348953D+01  0.116671D+02
      4   0.577009D+01  0.635828D+01 -0.125623D+02  0.336724D+01 -0.727016D+01
      5  -0.127045D+02  0.491517D+01  0.413530D+01 -0.372513D+01  0.401561D+02
      6  -0.356117D+01  0.419821D+01  0.464256D+00  0.350628D+01  0.119510D+02
               116           117           118           119           120 
      1  -0.431295D+01  0.326934D+02  0.119309D+02  0.783536D+01  0.563096D+01
      2   0.529968D+01 -0.105857D+02 -0.913395D+01 -0.561356D+01 -0.510069D+01
      3  -0.986734D+00 -0.221078D+02 -0.279692D+01 -0.222179D+01 -0.530274D+00
      4  -0.208668D+00  0.854750D+01  0.141413D+02  0.121345D+02  0.477606D+01
      5   0.801429D+01 -0.154962D+01  0.145715D+02  0.561000D+01  0.163380D+02
      6  -0.171367D+01  0.623897D+00  0.545848D+01  0.291668D+01  0.312951D+01
               121           122           123           124           125 
      1   0.177801D+02  0.447085D+00 -0.733688D+00  0.818818D+01 -0.147928D+01
      2  -0.116145D+02 -0.157329D-01 -0.246008D+01 -0.847214D+01 -0.312662D+01
      3  -0.616557D+01 -0.431352D+00  0.319377D+01  0.283965D+00  0.460590D+01
      4   0.161941D+02  0.192529D+02  0.156643D+02  0.635238D+01  0.165991D+02
      5   0.121090D+02  0.158646D+02  0.154635D+02  0.225252D+02  0.134087D+02
      6   0.481033D+01  0.971643D+01  0.100187D+02  0.540728D+01  0.870040D+01
               126           127           128           129           130 
      1  -0.830633D+00 -0.527363D+01 -0.100975D+02  0.195882D+02 -0.156583D+01
      2  -0.982987D+01  0.423079D+00  0.599763D+01 -0.415380D+01  0.362902D+00
      3   0.106605D+02  0.485055D+01  0.409991D+01 -0.154344D+02  0.120293D+01
      4   0.135597D+02  0.684511D+00 -0.651881D+01  0.297985D+01  0.179358D+01
      5   0.287823D+02  0.382739D+01  0.491447D+01 -0.102070D+02 -0.106824D+01
      6   0.963286D+01 -0.295672D+01 -0.661914D+01  0.105625D+02 -0.110604D+01
               131           132           133           134           135 
      1  -0.115369D+02  0.108658D+02  0.127093D+02  0.138820D+02 -0.357727D+02
      2   0.740261D+01 -0.380544D+01 -0.552959D+01 -0.410417D+01 -0.113546D+01
      3   0.413431D+01 -0.706033D+01 -0.717972D+01 -0.977785D+01  0.369081D+02
      4  -0.773694D+01  0.574639D+01 -0.736163D+01  0.128773D+02 -0.149391D+02
      5   0.571757D+01 -0.102076D+02  0.649821D+01 -0.176284D+02  0.403783D+02
      6  -0.888977D+01  0.134948D+02 -0.193283D+00  0.166075D+02 -0.278559D+02
               136           137           138           139           140 
      1   0.240666D+01 -0.715923D+01 -0.678955D+00 -0.758236D+01 -0.129108D+02
      2   0.639820D+00  0.598186D+01  0.184018D+01  0.169104D+01  0.264699D+02
      3  -0.304648D+01  0.117737D+01 -0.116123D+01  0.589132D+01 -0.135591D+02
      4  -0.313486D+01 -0.235315D+01  0.148975D+01  0.101392D+02 -0.293677D+02
      5  -0.156498D+01  0.976574D-01 -0.341360D+01 -0.627563D+00 -0.119756D+02
      6   0.154603D+01 -0.711446D+00  0.262351D+01 -0.284679D+00  0.352307D+01
               141           142           143           144           145 
      1  -0.384457D+01 -0.686112D+01 -0.429837D+01 -0.833483D+01  0.102850D+03
      2   0.114321D+02  0.191541D+01  0.145368D+02  0.947025D+01 -0.546719D+02
      3  -0.758750D+01  0.494571D+01 -0.102385D+02 -0.113542D+01 -0.481786D+02
      4  -0.107826D+02  0.103847D+02 -0.227602D+02 -0.103733D+02 -0.446774D+02
      5  -0.130961D+02 -0.218012D+00 -0.115608D+02 -0.146960D+02  0.399985D+02
      6   0.806627D+01  0.269798D+00  0.617531D+01  0.686312D+01 -0.897931D+01
               146           147           148           149           150 
      1  -0.156295D+02  0.156889D+02 -0.376895D+01  0.685661D+01  0.243108D+00
      2   0.469175D+01 -0.113523D+02 -0.109703D+01 -0.175949D+01  0.283386D+00
      3   0.109378D+02 -0.433659D+01  0.486597D+01 -0.509712D+01 -0.526495D+00
      4   0.216453D+02 -0.919859D+01  0.123913D+02 -0.457074D+01  0.251650D-01
      5  -0.853419D+01  0.208841D+02  0.509433D-01  0.136292D+01 -0.386340D+00
      6   0.498248D+01 -0.542939D+01  0.294943D+01 -0.265658D+00  0.208089D+01
               151           152           153           154           155 
      1   0.114759D+02 -0.614328D+00  0.628234D+01  0.195311D+03  0.331745D+02
      2  -0.888842D+01  0.196661D+01 -0.578056D+01 -0.889445D+02 -0.928482D+01
      3  -0.258747D+01 -0.135228D+01 -0.501775D+00 -0.106366D+03 -0.238897D+02
      4  -0.400888D+01  0.495463D+00 -0.538594D+01  0.536653D+02  0.474864D+02
      5   0.173540D+02 -0.469588D+01  0.101191D+02 -0.350311D+02 -0.997408D+01
      6  -0.355426D+01  0.295591D+01 -0.314372D+01 -0.145423D+01 -0.392297D+01
               156           157           158           159           160 
      1  -0.920665D+01  0.299959D+02  0.352387D+02  0.674299D-01 -0.932269D+01
      2   0.944617D+01 -0.524788D+01 -0.837707D+01  0.407303D+00  0.911585D+01
      3  -0.239521D+00 -0.247480D+02 -0.268617D+02 -0.474732D+00  0.206839D+00
      4  -0.728339D+01  0.559385D+02  0.382033D+02 -0.496313D+01 -0.569643D+01
      5   0.429169D+02 -0.527286D+01 -0.879936D+01  0.987997D+01  0.363131D+02
      6   0.402032D+01 -0.891812D+01 -0.490943D+01  0.645965D+01  0.436924D+01
               161           162           163           164           165 
      1  -0.141513D+01  0.200416D+02  0.637531D+02  0.114593D+02 -0.205753D+02
      2   0.145061D+01 -0.136201D+02 -0.423937D+02 -0.499941D+01  0.125290D+02
      3  -0.354768D-01 -0.642151D+01 -0.213594D+02 -0.645987D+01  0.804626D+01
      4  -0.213852D+01  0.859516D+01  0.187881D+02  0.865001D+01 -0.146777D+01
      5   0.872694D+01 -0.916426D+01 -0.375142D+02 -0.165572D+01  0.214287D+02
      6   0.519973D+01 -0.223803D+01 -0.657169D+01 -0.882835D+00  0.121759D+01
               166           167           168           169           170 
      1   0.186659D+02 -0.968775D+01  0.120812D+01  0.948864D+01  0.469300D+01
      2  -0.105673D+02  0.282820D+01 -0.131542D+01 -0.258298D+01 -0.284674D+01
      3  -0.809864D+01  0.685956D+01  0.107303D+00 -0.690566D+01 -0.184626D+01
      4   0.576404D+01 -0.143266D+01 -0.104053D+02  0.422437D+01 -0.460580D+01
      5  -0.670528D+01 -0.980098D+01  0.134527D+01  0.932686D+01 -0.341033D+00
      6  -0.294204D+01 -0.209548D+01  0.119065D+02 -0.225283D+01  0.106805D+02
               171           172           173           174           175 
      1  -0.373860D+02 -0.564814D+02 -0.533469D+01 -0.275389D+01 -0.141804D+02
      2  -0.100501D+02  0.349119D+02  0.312933D+01 -0.789430D+01  0.996896D+01
      3   0.474361D+02  0.215695D+02  0.220536D+01  0.106482D+02  0.421147D+01
      4  -0.271337D+01 -0.126548D+02 -0.551012D+01  0.127956D+01 -0.184697D+01
      5  -0.385966D+02  0.286248D+02  0.184300D+01 -0.192090D+02  0.672228D+01
      6  -0.203204D+01  0.534936D+01  0.365953D+01 -0.164923D+01  0.148628D+01
               176           177           178           179           180 
      1  -0.489011D+01 -0.144511D+00  0.171650D+02  0.214537D+01 -0.102622D+02
      2   0.286425D+01 -0.266550D+01 -0.157585D+02 -0.179892D+01  0.572641D+01
      3   0.202585D+01  0.281001D+01 -0.140658D+01 -0.346450D+00  0.453579D+01
      4  -0.913008D+00 -0.256804D+01  0.617321D+01  0.103186D+01 -0.203566D+01
      5  -0.216425D+01 -0.542860D+01 -0.146727D+02 -0.104404D+01  0.502627D+01
      6   0.124155D+01  0.255744D+01 -0.224877D+01  0.569350D+00  0.156619D+01
               181           182           183           184           185 
      1   0.314930D+02 -0.496563D+02 -0.642067D+01  0.367142D+02  0.158049D+02
      2  -0.152903D+02  0.400665D+02  0.198798D+01 -0.271282D+02 -0.176838D+02
      3  -0.162026D+02  0.958982D+01  0.443269D+01 -0.958604D+01  0.187884D+01
      4  -0.551926D+01  0.372779D+02 -0.154804D+01  0.490167D+01 -0.286112D+02
      5  -0.765474D+01 -0.343668D+01  0.113691D+02 -0.326634D+01 -0.115493D+02
      6  -0.685067D+01 -0.533471D+00  0.104543D+02 -0.716861D+01 -0.913893D+01
               186           187           188           189           190 
      1   0.418634D+01  0.474682D+01 -0.722151D+01 -0.453270D+00  0.104020D+03
      2  -0.522039D+01 -0.126106D+02 -0.150546D+01 -0.719584D+01 -0.559225D+02
      3   0.103405D+01  0.786375D+01  0.872697D+01  0.764911D+01 -0.480978D+02
      4  -0.103593D+02 -0.114479D+02 -0.104050D+02  0.208603D+02  0.198888D+01
      5   0.593908D+01  0.296482D+02  0.180483D+02  0.113719D+02 -0.168372D+01
      6   0.139896D+01  0.204031D+02  0.142140D+02  0.599021D+01 -0.264743D+01
               191           192           193           194           195 
      1   0.743103D+01  0.781381D+01  0.691066D+02 -0.364849D+02 -0.380744D+01
      2   0.511594D+01 -0.133126D+01 -0.293188D+02  0.390078D+02  0.985108D+01
      3  -0.125470D+02 -0.648256D+01 -0.397878D+02 -0.252285D+01 -0.604364D+01
      4   0.136801D+02  0.121743D+01 -0.395377D+02  0.548481D+02  0.446913D+01
      5   0.217843D+01  0.520550D+01 -0.965889D+01  0.842111D+01  0.282376D+01
      6   0.556059D-01  0.356268D+01 -0.324477D+01  0.821090D+01 -0.516160D+01
               196           197           198           199           200 
      1   0.131342D+02 -0.108457D+02  0.216399D+02 -0.112689D+03  0.176940D+02
      2  -0.752037D+01  0.984202D+01 -0.188792D+02  0.473547D+02 -0.177710D+02
      3  -0.561387D+01  0.100371D+01 -0.276075D+01  0.653347D+02  0.769668D-01
      4  -0.159394D+02  0.909729D+01  0.283641D+01  0.255927D+02 -0.254315D+02
      5   0.463400D+02  0.837741D+01  0.781463D+01 -0.728511D+01 -0.246435D+01
      6   0.146774D+01  0.652140D+01 -0.292871D+01  0.219697D+01 -0.373573D+01
               201           202           203           204           205 
      1  -0.647536D+01 -0.940800D+02  0.114447D+02 -0.287327D+01 -0.294662D+02
      2   0.206895D+01  0.574076D+02 -0.191345D+02 -0.781319D+00  0.175357D+02
      3   0.440641D+01  0.366725D+02  0.768984D+01  0.365459D+01  0.119306D+02
      4  -0.430279D+00  0.222493D+02 -0.175143D+02  0.396331D+01  0.893053D+01
      5   0.707389D+01 -0.258958D+01  0.231127D+01 -0.109551D+02  0.427484D+01
      6  -0.135709D+01  0.616760D+01 -0.730087D+01  0.722891D+01 -0.145622D+01
               206           207           208           209           210 
      1   0.104419D+02 -0.146544D+02  0.412577D+02  0.582217D+01  0.142148D+01
      2  -0.100075D+02 -0.336432D+01 -0.240000D+02 -0.536510D+01 -0.287315D+01
      3  -0.434427D+00  0.180187D+02 -0.172577D+02 -0.457073D+00  0.145167D+01
      4  -0.883981D-01 -0.167897D+02  0.125743D+02  0.115073D+02 -0.746471D+00
      5  -0.210410D+02 -0.119472D+02  0.781961D+01 -0.138426D+01  0.219607D+02
      6   0.830489D+01 -0.103074D+01  0.461631D+00  0.219869D+01 -0.362668D+01
               211           212           213           214           215 
      1   0.480328D+01  0.872343D+01  0.410975D+01  0.198558D+01  0.223604D+00
      2  -0.296858D+01 -0.321710D+01 -0.520590D+01 -0.341069D+01 -0.215959D+01
      3  -0.183471D+01 -0.550633D+01  0.109616D+01  0.142511D+01  0.193599D+01
      4   0.391861D+02  0.142284D+02  0.676013D+01  0.503390D+01  0.157642D+01
      5   0.670399D+01  0.462210D+01 -0.142993D+02  0.161554D+02  0.469185D+01
      6   0.112146D+01 -0.185821D+01  0.117726D+02  0.125549D+01  0.420435D+01
               216           217           218           219           220 
      1   0.648193D+01 -0.835157D+02 -0.690456D+01 -0.167388D+02 -0.116742D+02
      2  -0.451784D+01  0.481200D+02  0.623726D+00  0.101331D+02  0.342037D+01
      3  -0.196409D+01  0.353957D+02  0.628084D+01  0.660573D+01  0.825383D+01
      4   0.583605D+01 -0.121322D+02  0.255470D+02 -0.402262D+01 -0.113613D+02
      5   0.427516D+01 -0.159244D+02 -0.437612D+01  0.101385D+02 -0.972903D+01
      6   0.301301D+01  0.778000D+00  0.330316D+01 -0.393027D+01 -0.580965D+00
               221           222           223           224           225 
      1   0.145923D+02 -0.157480D+02 -0.121877D+02 -0.107930D+02  0.115464D+02
      2  -0.889248D+01  0.123358D+02  0.353896D+01  0.923052D+01 -0.982266D+01
      3  -0.569978D+01  0.341221D+01  0.864875D+01  0.156251D+01 -0.172378D+01
      4   0.758023D+01 -0.163045D+02 -0.829121D+01 -0.883824D+01  0.389208D+02
      5  -0.158376D+02  0.630487D+02 -0.173757D+02  0.396755D+02  0.305022D+02
      6   0.799293D+01 -0.230562D+02  0.112941D+02 -0.161128D+02 -0.581252D+01
               226           227           228           229           230 
      1  -0.760236D+01  0.173851D+02  0.157828D+01  0.848877D+01 -0.522303D+02
      2   0.881716D+01 -0.194829D+02 -0.147937D+01 -0.906318D+01  0.656823D+02
      3  -0.121480D+01  0.209775D+01 -0.989096D-01  0.574413D+00 -0.134520D+02
      4  -0.232939D+01  0.476273D+01  0.734628D+00  0.311647D+01  0.127595D+02
      5  -0.789674D+00  0.134926D+01  0.111209D+01  0.290465D+00 -0.774077D+00
      6   0.772681D+00 -0.124369D+01 -0.268364D+01 -0.151620D+01  0.780610D+01
               231           232           233           234           235 
      1  -0.741912D+01  0.210927D+00 -0.678213D+01 -0.186953D+01  0.254091D+02
      2   0.707230D+01 -0.799696D+00  0.802084D+01  0.235135D+01 -0.332017D+01
      3   0.346814D+00  0.588769D+00 -0.123871D+01 -0.481824D+00 -0.220889D+02
      4   0.139026D+01 -0.658674D-01  0.264378D+01 -0.645131D+00  0.442440D+02
      5   0.157277D+01  0.222586D+01 -0.315247D+00  0.361434D+00  0.103408D+02
      6   0.877399D+01  0.415287D+00  0.414633D+01  0.187416D+01  0.631208D+01
               236           237           238           239           240 
      1   0.132363D+02  0.409675D+01  0.120204D+02  0.186834D+01  0.628875D+00
      2   0.401502D+01 -0.982418D+00  0.908787D+01  0.214548D+02  0.263418D+01
      3  -0.172513D+02 -0.311433D+01 -0.211082D+02 -0.233232D+02 -0.326306D+01
      4   0.391603D+02  0.982582D+01  0.454339D+02  0.556851D+02  0.122286D+02
      5   0.757124D+01  0.845823D+01  0.941630D+01  0.938613D+01  0.901996D+01
      6   0.551866D+01  0.521926D+01  0.774221D+01  0.964752D+01  0.821245D+01
               241           242           243           244           245 
      1   0.543358D+01  0.171911D+01 -0.482951D+00  0.122100D+02 -0.104471D+02
      2   0.129988D+01  0.330804D+01  0.170926D+01 -0.387804D+01  0.293659D+01
      3  -0.673346D+01 -0.502715D+01 -0.122631D+01 -0.833198D+01  0.751053D+01
      4   0.134103D+02  0.135128D+02  0.629509D+01 -0.180071D+02  0.148039D+02
      5   0.232088D+01  0.453009D+01  0.359503D+01 -0.200051D+01  0.114217D+01
      6   0.946630D+00  0.448243D+01  0.294903D+01  0.370606D+00  0.530802D-01
               246           247           248           249           250 
      1  -0.605557D+00 -0.133039D+02 -0.381959D+01 -0.121221D+01 -0.990113D+00
      2   0.164171D+00  0.391192D+00  0.160936D+02  0.814676D+00  0.387384D-01
      3   0.441386D+00  0.129127D+02 -0.122740D+02  0.397533D+00  0.951374D+00
      4   0.543809D+00  0.261968D+02 -0.391435D+02 -0.411455D+01  0.254665D+01
      5   0.159007D+01  0.357050D+01 -0.660634D+01 -0.552558D+01  0.945487D+00
      6  -0.691682D+00 -0.143467D+01  0.316845D+01  0.486348D+01 -0.193575D+01
               251           252           253           254           255 
      1  -0.191493D+01 -0.164927D+01  0.203792D+03 -0.448479D+01  0.174701D+02
      2   0.251545D+01  0.202814D+01 -0.106992D+03  0.290636D+00 -0.102220D+02
      3  -0.600522D+00 -0.378867D+00 -0.968005D+02  0.419416D+01 -0.724810D+01
      4  -0.547730D+01 -0.752808D+00 -0.219299D+02  0.161642D+02 -0.203698D+01
      5  -0.108772D+00 -0.605845D+00  0.199058D+02 -0.656369D+00  0.200435D+02
      6   0.162148D+01  0.120446D+01 -0.336935D+01  0.763862D+00 -0.262546D+01
               256           257           258           259           260 
      1   0.225031D+02  0.142436D+02  0.267087D+01  0.230031D+02  0.441127D+00
      2  -0.141429D+02 -0.701152D+01 -0.205842D+01 -0.135389D+02 -0.908345D+00
      3  -0.836021D+01 -0.723209D+01 -0.612450D+00 -0.946414D+01  0.467218D+00
      4   0.161842D+02  0.348249D+01  0.310257D+01 -0.275353D+01  0.381001D+01
      5   0.180541D+01  0.331925D+01  0.910742D+00  0.236696D+02 -0.362932D+01
      6   0.490658D+00 -0.454209D+00  0.159210D+01 -0.248671D+01  0.261337D+01
               261           262           263           264           265 
      1   0.156403D+02  0.644518D+01 -0.176184D+01 -0.830405D+01 -0.692888D+01
      2  -0.938169D+01 -0.361474D+01  0.145428D+01  0.310778D+01  0.161856D+01
      3  -0.625866D+01 -0.283044D+01  0.307560D+00  0.519627D+01  0.531032D+01
      4  -0.457903D+01  0.100164D+01 -0.164044D+01  0.367463D+01  0.190283D+02
      5   0.511817D+01 -0.776506D+01  0.260494D+01 -0.297180D+01  0.137360D+02
      6  -0.509757D+00  0.216917D+01 -0.564021D+00  0.228699D+01 -0.470555D+01
               266           267           268           269           270 
      1   0.242392D+01  0.394358D+01 -0.360989D+02  0.939333D+01  0.393367D+01
      2   0.254940D+01  0.378748D+00  0.206875D+02 -0.296445D+01 -0.819408D+01
      3  -0.497332D+01 -0.432233D+01  0.154114D+02 -0.642888D+01  0.426041D+01
      4  -0.199092D+02 -0.154350D+02  0.271637D+02 -0.222663D+02 -0.252649D+02
      5  -0.157269D+02 -0.246477D+02  0.368042D+02 -0.257950D+02 -0.637813D+02
      6   0.633044D+01  0.110350D+02 -0.111985D+02  0.112948D+02  0.172127D+02
               271           272           273           274           275 
      1  -0.544343D+01 -0.450343D+01  0.111360D+02 -0.117052D+02 -0.525148D+01
      2   0.245217D+01  0.430644D+01 -0.545548D+01  0.270396D+01  0.132174D+02
      3   0.299126D+01  0.196997D+00 -0.568051D+01  0.900120D+01 -0.796588D+01
      4   0.504119D+01 -0.786490D+01  0.383251D+01  0.251835D+02 -0.408507D+02
      5   0.478962D+01  0.455036D+01 -0.102723D+02 -0.111691D+02  0.249556D+02
      6  -0.664550D+00 -0.380857D+01  0.570394D+01  0.673195D+01 -0.148049D+02
               276           277           278           279 
      1   0.651067D+01  0.222855D+02  0.249384D+01 -0.793794D+01
      2  -0.764390D+01 -0.986921D+01 -0.476315D+01  0.155108D+01
      3   0.113323D+01 -0.124163D+02  0.226931D+01  0.638687D+01
      4   0.261796D+02 -0.186224D+02  0.269803D+02 -0.270084D+02
      5  -0.292431D+02  0.198607D+02 -0.268030D+02  0.333357D+02
      6   0.146877D+02 -0.905685D+01  0.145436D+02 -0.153448D+02
 Leave Link  716 at Tue Aug 17 00:00:27 2021, MaxMem=  5637144576 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.310304D+03  0.801297D+01  0.156234D+02
      2   0.801297D+01  0.178922D+03  0.851365D+01
      3   0.156234D+02  0.851365D+01  0.123898D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.203534D+01 -0.303028D+02 -0.489183D+00
      2   0.677976D+02  0.207706D+02 -0.180679D+02
      3   0.466256D+02 -0.581613D+02 -0.175968D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.290746D+03 -0.590445D+02  0.692163D+02
      2  -0.123294D+03  0.589366D+02 -0.198131D+02
      3  -0.167453D+03  0.107863D+00 -0.494033D+02
      4  -0.570905D+02  0.127808D+03  0.521550D+02
      5   0.251624D+01  0.557481D+02 -0.432346D+02
      6   0.211531D+02 -0.538216D+02 -0.317313D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.373488D+02 -0.356734D+01 -0.319371D+01  0.428024D+02  0.879701D+01
      2  -0.356734D+01 -0.981680D+00 -0.935910D+00  0.879701D+01  0.933050D+01
      3  -0.319371D+01 -0.935910D+00 -0.148326D+00  0.586807D+01  0.237731D+01
                 6             7             8             9            10 
      1   0.586807D+01  0.406376D+01  0.117668D+01 -0.418723D+00  0.417434D+02
      2   0.237731D+01  0.117668D+01  0.109764D+01  0.160468D+01  0.450676D+01
      3   0.372196D+00 -0.418723D+00  0.160468D+01  0.408339D+00  0.381249D+01
                11            12            13            14            15 
      1   0.450676D+01  0.381249D+01 -0.430446D+02 -0.810905D+01 -0.596966D+01
      2   0.437003D+01  0.107193D+01 -0.810905D+01 -0.791850D+01 -0.247265D+01
      3   0.107193D+01 -0.728685D-01 -0.596966D+01 -0.247265D+01 -0.439145D+00
                16            17            18            19            20 
      1  -0.250239D+01 -0.895852D+00  0.723908D+00  0.400734D+02  0.548460D+01
      2  -0.895852D+00 -0.363953D+00 -0.146317D+01  0.548460D+01  0.386370D+01
      3   0.723908D+00 -0.146317D+01 -0.423955D+00  0.303988D+01  0.911565D+00
                21            22            23            24            25 
      1   0.303988D+01  0.226010D+02  0.239958D+01  0.510656D+00  0.964921D+01
      2   0.911565D+00  0.239958D+01  0.389059D+01  0.192497D+00  0.258453D+00
      3   0.419189D+00  0.510656D+00  0.192497D+00  0.204666D+01 -0.112836D+01
                26            27            28            29            30 
      1   0.258453D+00 -0.112836D+01 -0.514757D+02 -0.475288D+01 -0.601540D+00
      2  -0.119143D+00  0.330050D+01 -0.475288D+01 -0.285600D+01 -0.340376D+00
      3   0.330050D+01  0.998825D+00 -0.601540D+00 -0.340376D+00 -0.206180D+01
                31            32            33            34            35 
      1  -0.120233D+02 -0.107512D+01  0.416711D+00 -0.542151D+01  0.358475D+00
      2  -0.107512D+01 -0.781632D+01 -0.218259D+01  0.358475D+00 -0.215836D+01
      3   0.416711D+00 -0.218259D+01 -0.557214D+00 -0.595168D+01 -0.113594D+01
                36            37            38            39            40 
      1  -0.595168D+01 -0.604294D+01 -0.437033D+00 -0.553282D+00 -0.818970D+01
      2  -0.113594D+01 -0.437033D+00 -0.878947D+01 -0.153916D+01 -0.151418D+01
      3  -0.156586D+01 -0.553282D+00 -0.153916D+01 -0.223727D+01  0.733294D+00
                41            42            43            44            45 
      1  -0.151418D+01  0.733294D+00 -0.165256D+01  0.113760D+01 -0.400743D+01
      2   0.257610D+01  0.136142D+01  0.113760D+01  0.183365D+00 -0.253602D+01
      3   0.136142D+01 -0.578257D+00 -0.400743D+01 -0.253602D+01 -0.294626D+01
                46            47            48            49            50 
      1   0.988742D+01  0.190852D+01  0.182826D+01 -0.123318D+01 -0.150363D+01
      2   0.190852D+01  0.614425D+01  0.228976D+01 -0.150363D+01 -0.229595D+00
      3   0.182826D+01  0.228976D+01  0.262084D+01 -0.304536D+00  0.855057D+00
                51            52            53            54            55 
      1  -0.304536D+00  0.792691D+00  0.293441D+00  0.145051D+01 -0.115899D+02
      2   0.855057D+00  0.293441D+00  0.213758D+01 -0.335773D+01 -0.406133D+01
      3  -0.103966D+01  0.145051D+01 -0.335773D+01 -0.133897D+01 -0.188709D+01
                56            57            58            59            60 
      1  -0.406133D+01 -0.188709D+01 -0.959172D+00  0.103884D+01 -0.696576D-01
      2  -0.954791D+01 -0.195726D+01  0.103884D+01 -0.444054D+00 -0.849811D+00
      3  -0.195726D+01 -0.251395D+01 -0.696576D-01 -0.849811D+00  0.123570D+01
                61            62            63            64            65 
      1  -0.143387D+01 -0.531112D+00 -0.153948D+01 -0.181230D+01  0.227185D+01
      2  -0.531112D+00 -0.265850D+01  0.337299D+01  0.227185D+01 -0.132904D+01
      3  -0.153948D+01  0.337299D+01  0.765364D+00 -0.907869D-01  0.164361D+00
                66            67            68            69            70 
      1  -0.907869D-01  0.342095D+01 -0.309724D+01 -0.831865D-01 -0.339405D+00
      2   0.164361D+00 -0.309724D+01  0.612788D+01  0.247567D+00 -0.947246D-01
      3  -0.147510D+00 -0.831865D-01  0.247567D+00  0.767358D+00  0.825554D-01
                71            72            73            74            75 
      1  -0.947246D-01  0.825554D-01 -0.516134D+01 -0.301536D+01 -0.117163D+01
      2   0.759982D+00  0.177680D+00 -0.301536D+01 -0.316707D+01 -0.931051D+00
      3   0.177680D+00  0.660753D-01 -0.117163D+01 -0.931051D+00 -0.792711D+00
                76            77            78            79            80 
      1  -0.360533D+01 -0.416488D+01 -0.122911D+01 -0.153753D+01 -0.122613D+01
      2  -0.416488D+01 -0.613916D+01 -0.156592D+01 -0.122613D+01 -0.137702D+01
      3  -0.122911D+01 -0.156592D+01 -0.124942D+01  0.631458D-02 -0.681165D+00
                81            82            83            84            85 
      1   0.631458D-02  0.142433D+01 -0.179123D+01 -0.212602D+00 -0.989626D+00
      2  -0.681165D+00 -0.179123D+01  0.285815D+01  0.346153D+00  0.206423D+01
      3  -0.360047D+00 -0.212602D+00  0.346153D+00  0.318714D+00  0.436850D+00
                86            87            88            89            90 
      1   0.206423D+01  0.436850D+00 -0.964848D-01  0.134556D+00 -0.222429D-01
      2  -0.955581D+01 -0.146116D+01  0.134556D+00 -0.139121D+01 -0.446090D+00
      3  -0.146116D+01 -0.118236D+01 -0.222429D-01 -0.446090D+00 -0.269871D+00
                91            92            93            94            95 
      1   0.245673D+02  0.347279D+01 -0.187305D+01  0.304011D+01  0.255806D+01
      2   0.347279D+01  0.169772D+01 -0.683317D+00  0.255806D+01 -0.691573D+00
      3  -0.187305D+01 -0.683317D+00  0.283581D+01 -0.682724D-02  0.289614D+01
                96            97            98            99           100 
      1  -0.682724D-02 -0.849695D+01 -0.137169D+01  0.563859D+01  0.697869D+01
      2   0.289614D+01 -0.137169D+01  0.166289D+01  0.227057D+01 -0.619433D+00
      3   0.111703D+01  0.563859D+01  0.227057D+01 -0.133107D+00  0.180472D+01
               101           102           103           104           105 
      1  -0.619433D+00  0.180472D+01  0.264197D+01 -0.217316D+01  0.991643D+00
      2  -0.209295D+01  0.130158D+01 -0.217316D+01  0.978873D+00 -0.281025D+01
      3   0.130158D+01 -0.324387D+01  0.991643D+00 -0.281025D+01 -0.187246D+01
               106           107           108           109           110 
      1   0.242779D+01  0.112513D+01 -0.195913D+01  0.333244D+01  0.204853D+01
      2   0.112513D+01 -0.187994D+01 -0.311585D+01  0.204853D+01  0.615394D+00
      3  -0.195913D+01 -0.311585D+01  0.291738D+01 -0.185811D+00 -0.432119D+00
               111           112           113           114           115 
      1  -0.185811D+00  0.139781D+01 -0.766397D+00  0.280265D+00  0.157540D+02
      2  -0.432119D+00 -0.766397D+00 -0.384995D-03 -0.272164D+00  0.170029D+01
      3  -0.852530D+00  0.280265D+00 -0.272164D+00 -0.470238D+00 -0.622596D+01
               116           117           118           119           120 
      1   0.170029D+01 -0.622596D+01 -0.282705D+01 -0.156849D+01 -0.143662D+01
      2   0.841180D+00 -0.787373D+00 -0.156849D+01 -0.100448D+01 -0.400661D+00
      3  -0.787373D+00 -0.594973D-01 -0.143662D+01 -0.400661D+00 -0.155791D+01
               121           122           123           124           125 
      1  -0.590030D+01 -0.187032D+01 -0.114209D+01 -0.243522D+01 -0.496786D+00
      2  -0.187032D+01 -0.260435D+01 -0.202054D+01 -0.496786D+00 -0.208697D+01
      3  -0.114209D+01 -0.202054D+01 -0.204515D+01 -0.243831D+01 -0.177539D+01
               126           127           128           129           130 
      1  -0.243831D+01  0.918397D+00  0.186560D+00 -0.999954D+00 -0.376614D+00
      2  -0.177539D+01  0.186560D+00  0.121088D+01 -0.115271D+01  0.146426D+00
      3  -0.375403D+01 -0.999954D+00 -0.115271D+01  0.250909D+01 -0.121299D+00
               131           132           133           134           135 
      1   0.146426D+00 -0.121299D+00 -0.182884D+01  0.330261D+00  0.118529D+00
      2   0.148116D+01 -0.120619D+01  0.330261D+00 -0.215106D+01  0.283623D+01
      3  -0.120619D+01  0.178057D+01  0.118529D+00  0.283623D+01 -0.699042D+01
               136           137           138           139           140 
      1   0.476743D-02  0.312140D+00  0.396485D+00  0.144727D+01 -0.687412D+00
      2   0.312140D+00  0.666611D+00 -0.999497D-01 -0.687412D+00  0.421702D+01
      3   0.396485D+00 -0.999497D-01  0.597599D+00 -0.512829D-01  0.150534D+01
               141           142           143           144           145 
      1  -0.512829D-01  0.166562D+01 -0.957166D+00  0.920490D-01 -0.129531D+02
      2   0.150534D+01 -0.957166D+00  0.302767D+01  0.160776D+01  0.258644D+01
      3   0.180824D+01  0.920490D-01  0.160776D+01  0.192931D+01 -0.235797D+01
               146           147           148           149           150 
      1   0.258644D+01 -0.235797D+01  0.804501D+00 -0.946046D+00 -0.784669D-01
      2  -0.166831D+01  0.652566D+00 -0.946046D+00  0.201304D+00  0.493603D-01
      3   0.652566D+00 -0.164755D+01 -0.784669D-01  0.493603D-01  0.253016D-01
               151           152           153           154           155 
      1  -0.150725D+01  0.135048D+00 -0.128424D+01 -0.182665D+02 -0.371142D+01
      2   0.135048D+00  0.361175D-01  0.517043D+00 -0.371142D+01 -0.250941D+01
      3  -0.128424D+01  0.517043D+00 -0.972999D+00  0.117025D+01  0.825081D+00
               156           157           158           159           160 
      1   0.117025D+01 -0.446786D+01 -0.470629D+01  0.174473D+00  0.167705D+01
      2   0.825081D+00 -0.470629D+01 -0.292695D+01  0.507914D+00  0.548105D+00
      3  -0.309414D+01  0.174473D+00  0.507914D+00 -0.642515D+00 -0.255741D+01
               161           162           163           164           165 
      1   0.548105D+00 -0.255741D+01 -0.152292D+02 -0.186386D+01  0.510290D+01
      2  -0.306491D+00 -0.822545D+00 -0.186386D+01  0.232296D+00 -0.272339D-02
      3  -0.822545D+00  0.264678D+00  0.510290D+01 -0.272339D-02 -0.110349D+01
               166           167           168           169           170 
      1  -0.415368D+01  0.492491D-01  0.785753D+00 -0.439219D+00 -0.727027D+00
      2   0.492491D-01  0.235835D+00  0.138971D+01 -0.727027D+00  0.584528D+00
      3   0.785753D+00  0.138971D+01 -0.222547D+00  0.244080D-01 -0.268187D+00
               171           172           173           174           175 
      1   0.244080D-01  0.123398D+02  0.102622D+01 -0.293916D+01  0.306169D+01
      2  -0.268187D+00  0.102622D+01  0.204051D+00 -0.182686D+00 -0.953312D-01
      3   0.692921D+01 -0.293916D+01 -0.182686D+00  0.324455D+01 -0.893800D+00
               176           177           178           179           180 
      1  -0.953312D-01 -0.893800D+00 -0.736371D+01 -0.500948D+00  0.269567D+01
      2   0.129541D+00  0.666747D+00 -0.500948D+00  0.109067D+01  0.350594D+00
      3   0.666747D+00  0.950514D+00  0.269567D+01  0.350594D+00  0.255276D+00
               181           182           183           184           185 
      1   0.114819D+02  0.172092D+01  0.816146D+00  0.646694D+01  0.231523D+00
      2   0.172092D+01  0.105234D+02  0.815682D+00  0.231523D+00 -0.395098D+01
      3   0.816146D+00  0.815682D+00  0.223369D+01 -0.283452D+00 -0.123779D+01
               186           187           188           189           190 
      1  -0.283452D+00  0.134023D+01 -0.100054D+01  0.460560D+01  0.322791D+02
      2  -0.123779D+01 -0.100054D+01 -0.659780D+00  0.313770D+01  0.205067D+01
      3   0.984981D+00  0.460560D+01  0.313770D+01  0.263188D+01  0.233909D+01
               191           192           193           194           195 
      1   0.205067D+01  0.233909D+01  0.184582D+02  0.921363D+00  0.642574D+00
      2   0.591557D+01  0.543152D+00  0.921363D+00  0.121756D+02  0.145679D+01
      3   0.543152D+00  0.387070D+01  0.642574D+00  0.145679D+01  0.606484D+00
               196           197           198           199           200 
      1   0.557164D+01 -0.872847D+00  0.687649D+01 -0.384524D+02 -0.484586D+01
      2  -0.872847D+00  0.261655D+01  0.101951D+01 -0.484586D+01 -0.721205D+01
      3   0.687649D+01  0.101951D+01  0.215480D+01 -0.415056D+01 -0.921968D+00
               201           202           203           204           205 
      1  -0.415056D+01 -0.201252D+02 -0.350433D+00 -0.183307D+01 -0.842402D+01
      2  -0.921968D+00 -0.350433D+00 -0.528267D+01  0.246869D+00 -0.254505D+00
      3  -0.307337D+00 -0.183307D+01  0.246869D+00 -0.253746D+01 -0.463990D+00
               206           207           208           209           210 
      1  -0.254505D+00 -0.463990D+00 -0.310201D+01  0.763405D+00 -0.385778D+00
      2  -0.575218D+00 -0.356435D+01  0.763405D+00 -0.242637D+01 -0.419656D+00
      3  -0.356435D+01 -0.174676D+01 -0.385778D+00 -0.419656D+00 -0.548836D+00
               211           212           213           214           215 
      1  -0.675052D+00  0.266009D+01  0.544139D+00 -0.611723D+00  0.401243D+00
      2   0.266009D+01  0.153447D+01  0.721731D+00  0.401243D+00 -0.165052D+00
      3   0.544139D+00  0.721731D+00 -0.100794D+01  0.686038D+00  0.433253D+00
               216           217           218           219           220 
      1   0.686038D+00 -0.200750D+01 -0.183276D+01 -0.644175D+00 -0.140368D+01
      2   0.433253D+00 -0.183276D+01  0.304271D+01 -0.483609D+00 -0.121095D+01
      3   0.552826D-01 -0.644175D+00 -0.483609D+00  0.145286D+01 -0.967367D+00
               221           222           223           224           225 
      1  -0.121095D+01 -0.967367D+00 -0.113382D+00 -0.730562D+00 -0.180569D+01
      2  -0.205525D+00 -0.198253D+01 -0.730562D+00 -0.118612D+01  0.380241D+01
      3  -0.198253D+01  0.547782D+01 -0.180569D+01  0.380241D+01  0.245816D+01
               226           227           228           229           230 
      1  -0.110290D+01  0.150331D+01  0.123994D+00  0.584161D+00 -0.148438D+01
      2   0.150331D+01 -0.297434D+01 -0.284001D+00 -0.148438D+01  0.960772D+01
      3   0.123994D+00 -0.284001D+00 -0.301029D+00 -0.314744D+00  0.118329D+01
               231           232           233           234           235 
      1  -0.314744D+00 -0.616743D-01 -0.161200D+00  0.159973D+00  0.585393D+01
      2   0.118329D+01 -0.161200D+00  0.125688D+01  0.414871D+00  0.408852D+01
      3   0.109448D+01  0.159973D+00  0.414871D+00  0.276553D+00  0.132728D+01
               236           237           238           239           240 
      1   0.408852D+01  0.132728D+01  0.476500D+01  0.497041D+01  0.133409D+01
      2   0.389929D+01  0.990024D+00  0.497041D+01  0.661546D+01  0.150564D+01
      3   0.990024D+00  0.940612D+00  0.133409D+01  0.150564D+01  0.126253D+01
               241           242           243           244           245 
      1   0.166338D+01  0.141414D+01  0.940777D-01  0.206294D+01 -0.230955D+01
      2   0.141414D+01  0.157915D+01  0.614626D+00 -0.230955D+01  0.145362D+01
      3   0.940777D-01  0.614626D+00  0.349563D+00 -0.208011D+00 -0.260013D-01
               246           247           248           249           250 
      1  -0.208011D+00 -0.387202D+01  0.323159D+01  0.267680D+00 -0.482251D+00
      2  -0.260013D-01  0.323159D+01 -0.606830D+01 -0.670402D+00  0.280178D+00
      3   0.133163D+00  0.267680D+00 -0.670402D+00 -0.760693D+00  0.322829D-01
               251           252           253           254           255 
      1   0.280178D+00  0.322829D-01  0.159860D+02 -0.546884D+00  0.144216D+01
      2  -0.948604D+00 -0.198253D-01 -0.546884D+00  0.977507D+00 -0.560572D-01
      3  -0.198253D-01 -0.923809D-01  0.144216D+01 -0.560572D-01  0.134730D+01
               256           257           258           259           260 
      1   0.207924D+01  0.107353D+01  0.174831D+00  0.199284D+01 -0.830644D-01
      2   0.107353D+01  0.354984D+00  0.261599D+00 -0.830644D-01  0.319469D+00
      3   0.174831D+00  0.261599D+00  0.474621D-01  0.164243D+01 -0.359951D+00
               261           262           263           264           265 
      1   0.164243D+01 -0.196276D+00  0.382861D+00 -0.698359D+00 -0.908958D+00
      2  -0.359951D+00  0.382861D+00 -0.185824D+00  0.210016D+00  0.152526D+01
      3   0.365241D+00 -0.698359D+00  0.210016D+00 -0.577074D+00  0.118329D+01
               266           267           268           269           270 
      1   0.152526D+01  0.118329D+01 -0.467735D+01  0.214533D+01  0.309677D+01
      2  -0.169009D+01 -0.136808D+01  0.214533D+01 -0.187086D+01 -0.232312D+01
      3  -0.136808D+01 -0.213187D+01  0.309677D+01 -0.232312D+01 -0.579870D+01
               271           272           273           274           275 
      1  -0.136581D+01  0.609315D+00  0.386422D+00 -0.164305D+01  0.208766D+01
      2   0.609315D+00 -0.930325D+00  0.727352D+00  0.208766D+01 -0.393273D+01
      3   0.386422D+00  0.727352D+00 -0.131589D+01 -0.995777D+00  0.267508D+01
               276           277           278           279 
      1  -0.995777D+00  0.282712D+01 -0.153478D+01  0.177646D+01
      2   0.267508D+01 -0.153478D+01  0.270462D+01 -0.280371D+01
      3  -0.284038D+01  0.177646D+01 -0.280371D+01  0.362694D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.393720D+01 -0.328090D+01  0.559661D+00 -0.776116D+01 -0.672385D+01
      2  -0.916935D+01 -0.358930D+01 -0.144441D+01  0.113096D+02  0.175537D+00
      3  -0.293250D+02  0.211111D+02  0.703144D+00  0.409127D+02  0.197926D+02
                 6             7             8             9            10 
      1  -0.193131D+01  0.368416D+01  0.612728D+01  0.121682D+01 -0.143806D+01
      2  -0.101843D+01 -0.180766D+02 -0.295504D+01 -0.279760D+01  0.214996D+02
      3   0.625472D+01  0.261051D+01  0.717531D+01 -0.261549D+00  0.253937D+01
                11            12            13            14            15 
      1  -0.578753D+01 -0.111428D+01 -0.503039D+01 -0.185421D+01  0.316888D+00
      2  -0.751945D+00 -0.484264D+01 -0.183544D+02 -0.515178D+01 -0.252616D+01
      3   0.272731D+02  0.328001D+01  0.466754D+02  0.231543D+02  0.861551D+01
                16            17            18            19            20 
      1   0.381574D+01  0.718557D+01  0.228877D+01 -0.479368D+01  0.681112D+00
      2  -0.230723D+02 -0.348982D+01 -0.327586D+01  0.161528D+02  0.599807D+01
      3   0.570417D+01  0.828826D+01  0.278742D+01  0.311119D+02 -0.168088D+02
                21            22            23            24            25 
      1  -0.647687D+00 -0.636373D+00 -0.318287D+01 -0.258448D+01  0.766886D+01
      2   0.111433D+01  0.150865D+02  0.223627D+01 -0.898513D+00 -0.145328D+02
      3   0.574606D+00  0.949691D+01  0.233346D+01  0.486315D+00 -0.893339D+00
                26            27            28            29            30 
      1   0.275980D+01 -0.218033D+01 -0.812430D+00 -0.146199D+01 -0.184716D+00
      2  -0.630856D+01 -0.285114D+01 -0.303961D+02 -0.448473D+01  0.200809D+00
      3  -0.359546D+01  0.153258D+01 -0.596126D+01  0.742652D+01  0.108377D+01
                31            32            33            34            35 
      1  -0.660529D+01  0.286287D+01  0.320748D+01 -0.227022D+01  0.142678D+02
      2  -0.686834D+01  0.205357D+01  0.407725D+00 -0.165230D+02 -0.439826D+00
      3   0.241793D+02 -0.584310D+01 -0.470064D+01  0.198252D+01 -0.178913D+00
                36            37            38            39            40 
      1   0.365424D+01 -0.125973D+01  0.525081D+01 -0.366112D+01  0.412621D+01
      2  -0.896422D+00 -0.105395D+01  0.378144D+00  0.185700D+01 -0.467411D+01
      3  -0.188243D+01  0.210617D+02 -0.541814D+01 -0.135098D+01  0.101391D+01
                41            42            43            44            45 
      1  -0.372020D+01 -0.216531D+01 -0.150562D+02  0.454213D+01 -0.741417D+00
      2  -0.455742D+01  0.881757D+00 -0.112056D+02  0.683282D+01 -0.380533D+00
      3   0.931983D+01  0.389211D+01 -0.461064D+00  0.257115D+01  0.524816D+01
                46            47            48            49            50 
      1   0.232600D+01 -0.845323D+00  0.434759D+01  0.120211D+01  0.383047D+01
      2   0.724276D+01  0.246648D+01  0.235862D+01  0.288142D+01  0.251956D+01
      3  -0.346996D+02 -0.220840D+02 -0.479218D+01 -0.107861D+02 -0.207191D+02
                51            52            53            54            55 
      1  -0.243254D+01  0.102768D+02 -0.219709D+01  0.261048D+01  0.247657D+01
      2   0.146252D+01 -0.160826D+02  0.294739D+00  0.227040D+00  0.521458D+01
      3  -0.400153D+01 -0.828412D+01 -0.565393D+01 -0.695125D+01 -0.258371D+02
                56            57            58            59            60 
      1   0.368792D+01  0.673496D+01 -0.134830D+01  0.360532D+01 -0.233344D+01
      2   0.401449D+00 -0.468948D+01  0.413186D+01  0.242827D+01  0.360711D+01
      3  -0.116315D+02 -0.302726D+01 -0.135138D+01 -0.200463D+02 -0.881960D+00
                61            62            63            64            65 
      1   0.918768D+01 -0.165908D+01  0.137627D+01 -0.256097D+00 -0.739461D+00
      2  -0.211502D+02  0.436231D+01  0.239059D+00  0.709200D+00  0.216474D+00
      3  -0.475333D+01 -0.251578D+01 -0.128054D+02 -0.234138D+01  0.160014D+01
                66            67            68            69            70 
      1   0.955979D+00  0.293514D+00 -0.149526D+01 -0.370295D+01  0.227957D+00
      2  -0.567770D-02  0.631168D+00 -0.940513D+00 -0.164719D+01 -0.274523D+01
      3  -0.157361D+00  0.662842D+01  0.370197D+01  0.818151D+00 -0.320000D-01
                71            72            73            74            75 
      1   0.182031D+01  0.371384D-01  0.283646D+00  0.136426D+01 -0.220227D+01
      2   0.782156D+00 -0.111189D+00 -0.360340D+01 -0.117595D+01  0.122014D+01
      3   0.866777D+00 -0.608610D+00  0.766690D+01 -0.325928D+00  0.639713D+00
                76            77            78            79            80 
      1   0.131489D+01  0.263285D+01 -0.299946D+01  0.303177D+01  0.214680D+01
      2  -0.176872D+01 -0.127869D+01  0.211326D+01 -0.323527D+01 -0.353806D+00
      3   0.206185D+01 -0.235867D+01 -0.108326D-01  0.158743D+01 -0.395084D+00
                81            82            83            84            85 
      1   0.815204D-01  0.137093D+01 -0.177130D+01  0.151278D+01 -0.580902D+00
      2   0.749255D+00  0.155482D+01 -0.119347D+01  0.805386D+00 -0.118038D+01
      3  -0.915817D+00 -0.622451D+01  0.231458D+01  0.984771D-01  0.580085D+01
                86            87            88            89            90 
      1   0.394017D+01 -0.413061D+01 -0.127113D+01  0.268331D+01 -0.403396D+00
      2   0.190833D+01 -0.994393D+00 -0.721524D+00 -0.619762D+00 -0.433087D+00
      3  -0.352168D+01 -0.104402D+01 -0.294533D+00 -0.841006D+00  0.778048D+00
                91            92            93            94            95 
      1  -0.412447D+00 -0.141515D+01  0.297032D+00  0.223988D+01 -0.108049D+00
      2   0.231175D+02  0.380800D+01 -0.866106D+01  0.245847D+01 -0.707220D+01
      3   0.537339D+01 -0.160859D+01 -0.957613D+00  0.172627D+02 -0.534900D+01
                96            97            98            99           100 
      1  -0.265008D+01  0.344058D+00  0.391354D+01 -0.400414D+01 -0.172693D+01
      2  -0.297396D+01 -0.389408D+02 -0.866025D+01  0.308232D+01  0.180084D+01
      3   0.113301D+02 -0.228789D+01  0.110225D+02  0.846435D+01  0.144898D+02
               101           102           103           104           105 
      1   0.277885D+01  0.262121D+01  0.682234D+00  0.374523D+01  0.620852D+01
      2  -0.485696D+01  0.161486D+02 -0.150868D+01  0.763603D+01  0.831118D+01
      3  -0.160160D+02  0.828378D+01 -0.886352D+01 -0.165197D+01 -0.119526D+02
               106           107           108           109           110 
      1  -0.934955D+00  0.101696D+02  0.580392D-01  0.610441D+01  0.150308D+01
      2   0.731583D+01  0.126799D+02 -0.126209D+02 -0.213831D+02 -0.399967D+01
      3   0.631750D+01 -0.772455D+01 -0.169232D+02 -0.160417D+01  0.146131D+02
               111           112           113           114           115 
      1   0.615288D+01  0.122490D+02  0.551849D+01 -0.163004D+02  0.373284D+01
      2   0.248305D+00 -0.205355D+01 -0.376566D+00 -0.521650D+01  0.246641D+02
      3   0.750977D+00  0.123209D+02  0.111601D+02 -0.284540D+01  0.534033D+01
               116           117           118           119           120 
      1  -0.446742D+01 -0.253172D+01  0.450413D+00  0.119809D+01  0.177503D+00
      2   0.430671D+00  0.675722D+00  0.371145D+01  0.611705D+00  0.584532D+01
      3  -0.359642D+01 -0.257129D+01 -0.716173D+01 -0.580174D+01 -0.171764D+01
               121           122           123           124           125 
      1   0.245141D-01  0.219228D+01  0.145203D+00 -0.108371D+00  0.287363D+01
      2  -0.111126D+01  0.524065D+01  0.657833D+01  0.507757D+01  0.530646D+01
      3  -0.231433D+01 -0.896256D+01 -0.713022D+01 -0.124608D+01 -0.865107D+01
               126           127           128           129           130 
      1   0.718159D+00  0.590020D+00 -0.154142D+01 -0.237596D+01 -0.151941D+00
      2   0.101572D+02  0.703545D+01  0.366027D+01 -0.925713D+01  0.558555D+00
      3  -0.693296D+01  0.358802D+01  0.546040D+01 -0.621620D+01  0.317218D+01
               131           132           133           134           135 
      1  -0.480407D+00 -0.269362D+01 -0.134924D+01  0.144052D+01  0.623937D+01
      2   0.451756D+01 -0.667302D+01 -0.570349D+01 -0.953694D+01  0.245256D+02
      3   0.590115D+01 -0.537060D+01 -0.301192D+01 -0.773502D+01  0.129943D+02
               136           137           138           139           140 
      1  -0.151660D+01 -0.843948D+00 -0.154299D+01  0.807549D-01 -0.745624D+01
      2  -0.232711D+01  0.789010D+00 -0.168162D+01  0.891999D+00 -0.616671D+01
      3   0.439011D+01  0.357196D+01  0.108763D+01  0.266302D+01  0.171379D+02
               141           142           143           144           145 
      1  -0.728573D+01  0.116235D+00 -0.493477D+01 -0.705964D+01  0.558119D+00
      2  -0.659480D+01 -0.125693D+01 -0.630447D+01 -0.704341D+01 -0.631838D+01
      3   0.701847D+01  0.144985D+01  0.120313D+02  0.838079D+01 -0.854122D+01
               146           147           148           149           150 
      1   0.183195D+01  0.191552D+01  0.101056D+01 -0.205005D+00 -0.124754D+01
      2  -0.623479D-01  0.647947D+01  0.789110D+00 -0.174879D+01 -0.800086D-01
      3  -0.675028D+01 -0.341042D+00 -0.128582D+01 -0.291562D+00  0.144675D+01
               151           152           153           154           155 
      1   0.112127D+01 -0.271489D+00  0.281609D+00 -0.412446D+01 -0.132124D+01
      2   0.247249D+01 -0.158490D+01  0.254903D+01  0.103863D+02  0.204394D+00
      3  -0.166283D+01  0.907103D+00  0.560544D+00 -0.598274D+01 -0.251634D+02
               156           157           158           159           160 
      1  -0.595308D+01 -0.900052D+01 -0.345579D+01  0.293214D-01 -0.276901D+01
      2   0.242376D+02 -0.180208D+01  0.124773D+01  0.679259D+01  0.623518D+01
      3   0.137332D+01 -0.170090D+02 -0.154958D+02  0.175057D+01  0.209266D+00
               161           162           163           164           165 
      1   0.261424D+01  0.321245D+00 -0.701786D+01 -0.244222D+01  0.471675D+00
      2   0.357396D+01 -0.148805D+01  0.966123D+01  0.400868D+01  0.194643D+01
      3   0.208256D+01 -0.207615D+01 -0.639682D+01 -0.352010D+01 -0.787269D-01
               166           167           168           169           170 
      1  -0.541312D+01 -0.379837D+00  0.466242D+01  0.161073D+01  0.823844D+01
      2   0.465204D+01 -0.604082D+01  0.157071D+01 -0.118284D+02  0.692945D+00
      3   0.136681D+01 -0.912929D-01  0.640644D+01 -0.228200D+01  0.259583D+01
               171           172           173           174           175 
      1   0.303666D+01  0.759951D+01  0.257328D+01 -0.158019D+01  0.668604D+01
      2  -0.225857D+02 -0.215823D+02 -0.262916D+01 -0.646319D+01 -0.511416D+01
      3  -0.388028D+00  0.350110D+01  0.201359D+01 -0.120582D+01  0.552308D+01
               176           177           178           179           180 
      1   0.842685D+00 -0.284158D+01 -0.171997D+01 -0.120703D+01  0.700198D+00
      2  -0.252997D+01 -0.186849D+01 -0.944465D+00  0.284684D+00 -0.172220D+01
      3   0.113441D+00  0.669337D+00 -0.199028D+01 -0.808572D+00  0.690326D+00
               181           182           183           184           185 
      1  -0.762414D+00 -0.143119D+01 -0.626965D+01  0.408178D+01 -0.285090D+01
      2  -0.156548D+01  0.946972D+00  0.694324D+01  0.305414D+01 -0.816666D+01
      3   0.245291D+02 -0.118409D+02  0.977189D+00 -0.748226D+01  0.265874D+02
               186           187           188           189           190 
      1  -0.161564D+01 -0.157325D+02  0.480956D+01 -0.302650D+01 -0.131780D+01
      2   0.160061D+01 -0.409962D+00  0.107145D+02  0.462633D+01  0.943958D+01
      3   0.438910D+01 -0.610301D+00  0.593605D+01  0.211484D+01  0.704727D+01
               191           192           193           194           195 
      1  -0.608790D+01 -0.164799D+01 -0.802450D+01 -0.435889D+01  0.306598D+01
      2  -0.342438D+01  0.120365D+01 -0.294530D+01  0.526890D+01  0.114325D+01
      3   0.200359D+02  0.447080D+01  0.550400D+02 -0.220527D+02  0.254435D+01
               196           197           198           199           200 
      1   0.159071D+01  0.126981D+02  0.318031D+01  0.201037D+00  0.403759D+01
      2   0.892981D+00  0.270128D+01  0.323752D+01 -0.142392D+02  0.115739D+01
      3   0.114920D+02  0.110614D+01 -0.192674D+00  0.315398D+01 -0.176356D+02
               201           202           203           204           205 
      1   0.699140D+00  0.149802D+01  0.203864D+01 -0.310351D+01  0.314188D+01
      2   0.313935D+01 -0.552944D+00  0.287458D+01 -0.479935D+01 -0.213665D+02
      3  -0.248699D+01 -0.130409D+02 -0.728459D+00 -0.403391D+01 -0.570578D+01
               206           207           208           209           210 
      1   0.363129D+01  0.742689D+00  0.142251D+01  0.590444D+01  0.188010D+01
      2  -0.124691D+02 -0.590821D+01  0.103640D+01  0.499630D+01  0.120082D+02
      3  -0.541308D+01  0.457590D+01 -0.117767D+02 -0.400903D+02 -0.624284D+01
               211           212           213           214           215 
      1   0.119240D+01  0.145238D+01 -0.693890D+01 -0.279866D+01 -0.148485D-01
      2   0.216030D+01  0.227808D+01 -0.770386D+01 -0.429090D+01  0.479197D+01
      3  -0.459589D+01 -0.386733D+01 -0.301773D+01 -0.356918D+01 -0.494694D+01
               216           217           218           219           220 
      1  -0.154445D+01 -0.231833D+01 -0.146086D+01  0.155044D+01  0.829436D+00
      2   0.638127D+00 -0.693326D+01 -0.349328D+01  0.747370D+01 -0.416302D+01
      3  -0.229088D+01  0.333473D+02 -0.103517D+02  0.775337D+01  0.409650D+01
               221           222           223           224           225 
      1  -0.708030D+00  0.890880D+01 -0.130513D+02  0.980710D+01  0.484913D+01
      2  -0.715772D+01  0.328876D+02 -0.865048D+01  0.217507D+02  0.155880D+02
      3  -0.220926D+02  0.915750D+01  0.607050D+01  0.588797D+01 -0.275671D+02
               226           227           228           229           230 
      1   0.492958D+00 -0.553805D+00  0.180342D+01  0.400695D+00  0.121999D+00
      2   0.111835D+01 -0.899459D+00  0.202327D+00 -0.112905D+01  0.318450D+01
      3  -0.848120D+01  0.721098D+01  0.397542D+00  0.682724D+01 -0.203751D+02
               231           232           233           234           235 
      1  -0.485297D+01 -0.924383D+00  0.209739D+01 -0.554657D+00 -0.133523D+01
      2   0.794657D+00 -0.891399D-02  0.531711D+00  0.190482D+00  0.181276D+01
      3  -0.309305D+01  0.213505D-01 -0.246578D+01  0.246247D-01  0.415371D+00
               236           237           238           239           240 
      1  -0.554855D-01 -0.280049D+01 -0.861747D+00  0.119474D+00 -0.376249D+01
      2   0.181315D+01  0.378761D+01  0.261279D+01  0.315049D+01  0.495010D+01
      3  -0.657875D+01 -0.649679D+00 -0.575580D+01 -0.137429D+02 -0.244156D+01
               241           242           243           244           245 
      1   0.265480D+01  0.117751D+01 -0.368012D+00  0.532018D+00 -0.498892D+00
      2  -0.241254D+01  0.169805D+01  0.134756D+01  0.660777D+00 -0.576830D+00
      3  -0.913845D+00 -0.264549D+01 -0.194712D+01  0.584684D+00 -0.257497D+01
               246           247           248           249           250 
      1   0.859284D+00 -0.713638D+00  0.389309D+00 -0.326338D+01  0.249656D+00
      2   0.471126D+00 -0.763687D+00 -0.141357D+01 -0.269656D+01 -0.170922D+01
      3  -0.181712D+00  0.987308D-01  0.148686D+02  0.212273D+01 -0.117523D+00
               251           252           253           254           255 
      1   0.159594D+01 -0.123808D+00  0.142958D+01  0.601283D+00  0.137456D+01
      2   0.109261D+01 -0.226260D+00  0.534241D+01 -0.290074D-01  0.100741D+02
      3   0.285714D+01 -0.191549D+00 -0.123374D+02 -0.882250D+01 -0.143530D+01
               256           257           258           259           260 
      1   0.220873D+00  0.466078D+00 -0.692329D+00  0.178886D+01 -0.111481D-01
      2   0.550186D+00  0.126177D+01  0.275289D+00  0.728304D+01 -0.184146D+01
      3  -0.584597D+01 -0.321131D+01 -0.169688D+01 -0.146936D+01 -0.238207D+01
               261           262           263           264           265 
      1   0.856522D-01 -0.334299D+00  0.862107D-01 -0.131404D+01  0.883150D+00
      2   0.179929D+01 -0.593165D+01  0.117552D+01 -0.263510D+01  0.594412D+01
      3   0.147847D+01 -0.569152D+00  0.289739D+01  0.276898D+00 -0.532177D+01
               266           267           268           269           270 
      1  -0.197790D+01 -0.425672D+01  0.509018D+01 -0.134760D+01 -0.984105D+01
      2  -0.782897D+01 -0.125066D+02  0.111649D+02 -0.135379D+02 -0.328696D+02
      3   0.132135D+02  0.885228D+01 -0.742121D+01  0.134222D+02  0.167776D+02
               271           272           273           274           275 
      1  -0.348545D+00  0.397438D-01 -0.261929D+01 -0.698990D+00  0.942416D+00
      2   0.481750D+01  0.279125D+01 -0.613626D+01 -0.372252D+01  0.124485D+02
      3   0.435698D+00  0.803250D+01 -0.516562D+01 -0.633740D+01  0.271222D+02
               276           277           278           279 
      1  -0.470843D+01  0.265603D+01 -0.102749D+01  0.515656D+01
      2  -0.151789D+02  0.461123D+01 -0.144248D+02  0.177666D+02
      3  -0.157222D+02  0.422120D+01 -0.172012D+02  0.180981D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.754642D+02 -0.290039D+02 -0.103190D+02  0.814367D+02 -0.332448D+00
      2   0.386396D+02  0.173663D+02  0.768315D+01 -0.366445D+02  0.113361D+02
      3   0.368246D+02  0.116376D+02  0.263590D+01 -0.447923D+02 -0.110037D+02
      4  -0.329424D+01  0.145725D+02  0.344793D+01  0.106613D+02  0.218311D+02
      5  -0.983043D+01  0.117918D+01 -0.319482D+01  0.985707D+00  0.211704D+01
      6  -0.162241D+01  0.384038D+01 -0.623729D+00 -0.168278D+01 -0.154919D+00
                 6             7             8             9            10 
      1   0.101186D+02  0.422040D+01 -0.155863D+01 -0.868446D+01  0.961473D+02
      2  -0.177975D+01  0.486208D+00  0.350965D+01 -0.807063D-01 -0.389408D+02
      3  -0.833889D+01 -0.470660D+01 -0.195102D+01  0.876517D+01 -0.572064D+02
      4   0.536939D+01  0.175626D+01  0.423855D+01  0.271254D+01 -0.255910D+02
      5  -0.363593D+01 -0.393080D+00  0.172052D+01 -0.332878D+01  0.657784D+01
      6  -0.102934D+00 -0.307595D+01  0.487437D+01 -0.244389D+01 -0.106677D+00
                11            12            13            14            15 
      1  -0.145366D+02  0.904763D+01 -0.828533D+02 -0.268956D+02 -0.116604D+02
      2   0.109229D+02 -0.159539D+01  0.316665D+02  0.169414D+02  0.774961D+01
      3   0.361367D+01 -0.745224D+01  0.511868D+02  0.995417D+01  0.391079D+01
      4   0.109974D+02  0.233758D+01 -0.268232D+02 -0.191217D+02 -0.456218D+01
      5   0.392653D+01 -0.113048D+02 -0.370094D+01 -0.844712D+00  0.113720D+01
      6   0.334764D+00  0.431771D+00 -0.175791D+01  0.472430D+01 -0.920297D+00
                16            17            18            19            20 
      1  -0.274336D+01 -0.490607D+01 -0.695545D+01  0.388744D+02  0.369563D+02
      2   0.322144D+01  0.275929D+01 -0.156034D+01 -0.187156D+02 -0.240807D+02
      3  -0.478075D+00  0.214677D+01  0.851579D+01 -0.201588D+02 -0.128756D+02
      4  -0.783183D+01 -0.173024D+01 -0.512193D+01  0.826695D+01 -0.185579D+02
      5   0.206972D+01 -0.308244D+01 -0.465543D+01  0.857248D+01  0.161408D+01
      6  -0.293208D+01  0.483578D+01 -0.139835D+01  0.281441D+01 -0.812152D+01
                21            22            23            24            25 
      1   0.140913D+02 -0.149934D+02  0.200615D+02  0.102316D+02  0.237796D+01
      2  -0.786774D+01  0.223337D+02 -0.222508D+02 -0.597387D+01  0.564154D+01
      3  -0.622357D+01 -0.734027D+01  0.218930D+01 -0.425769D+01 -0.801950D+01
      4  -0.119547D+01  0.861343D+01 -0.677014D+00  0.206474D+01  0.666511D+01
      5   0.191511D-01  0.583223D+01  0.290633D+01 -0.488456D+01  0.107666D+02
      6  -0.116571D+01  0.684912D+01 -0.919316D+01  0.424922D+01  0.810588D+00
                26            27            28            29            30 
      1   0.166117D+02 -0.419055D+01  0.305759D+02  0.593619D+01 -0.919113D+01
      2  -0.102945D+02 -0.483314D+01 -0.348404D+02 -0.218220D+01  0.339844D+01
      3  -0.631717D+01  0.902369D+01  0.426448D+01 -0.375399D+01  0.579269D+01
      4   0.716053D+00 -0.449838D+01  0.141808D+02  0.111927D+02  0.170339D+01
      5  -0.724774D+01 -0.487273D+01 -0.863794D+01  0.209951D+01  0.651976D+01
      6   0.803609D+01 -0.394837D+01 -0.690783D+01  0.331745D+01  0.142915D+01
                31            32            33            34            35 
      1  -0.214271D+02 -0.528377D+02 -0.118510D+02 -0.148631D+02 -0.116110D+02
      2   0.130027D+02  0.427109D+02  0.130127D+02 -0.375273D+00  0.853119D+01
      3   0.842437D+01  0.101268D+02 -0.116174D+01  0.152384D+02  0.307985D+01
      4  -0.311761D+02  0.161796D+02  0.472590D+01 -0.102206D+02  0.560546D+01
      5  -0.132974D+02  0.822858D+00 -0.793567D-01  0.220120D+02  0.451153D+01
      6  -0.342056D+01  0.138819D+02  0.147506D+00 -0.101682D+01  0.711711D+01
                36            37            38            39            40 
      1  -0.789166D+01 -0.115634D+02 -0.612209D+02 -0.132491D+02  0.281202D+02
      2  -0.625126D+01  0.529018D+01  0.425516D+02  0.410223D+01 -0.252724D+02
      3   0.141429D+02  0.627322D+01  0.186692D+02  0.914690D+01 -0.284777D+01
      4   0.224812D+01 -0.248413D+02  0.502380D+00 -0.484632D+01  0.199961D+02
      5   0.195723D+01 -0.391519D+00 -0.753468D+01  0.120972D+01 -0.475178D+00
      6  -0.171504D+01 -0.579188D+01  0.757865D+01  0.950227D+01 -0.647589D+01
                41            42            43            44            45 
      1   0.296319D+02  0.669564D+01 -0.128358D+01 -0.573511D+01 -0.178406D+02
      2  -0.254530D+02 -0.741568D+01 -0.115767D+02 -0.398049D+01 -0.920578D+00
      3  -0.417893D+01  0.720044D+00  0.128603D+02  0.971560D+01  0.187611D+02
      4  -0.215123D+02 -0.664181D+01 -0.951100D+01 -0.782928D+01  0.435364D+01
      5  -0.482888D+01  0.488900D+01  0.123905D+02  0.448451D+01  0.601611D+01
      6  -0.118774D+02 -0.817670D+00  0.140237D+02  0.104525D+02  0.764062D+01
                46            47            48            49            50 
      1   0.149462D+02  0.501641D+02  0.157467D+02 -0.175259D+02  0.760291D+01
      2  -0.103208D+02 -0.312294D+02 -0.432718D+01  0.148130D+02 -0.130903D+02
      3  -0.462537D+01 -0.189347D+02 -0.114195D+02  0.271298D+01  0.548740D+01
      4   0.265371D+02 -0.120377D+02  0.249824D+00  0.155281D+02  0.119985D+02
      5  -0.555332D+01 -0.599259D+00  0.169683D+01 -0.131550D+01  0.231113D+01
      6   0.170097D+01 -0.109919D+02 -0.104867D+02  0.497032D+01 -0.777728D+01
                51            52            53            54            55 
      1   0.319596D+01  0.110285D+01  0.979427D+01 -0.200168D+02 -0.163432D+02
      2  -0.582808D+01  0.242959D+01 -0.174136D+02  0.637530D+01  0.140278D+01
      3   0.263212D+01 -0.353244D+01  0.761932D+01  0.136415D+02  0.149404D+02
      4   0.397355D+01  0.589470D+01 -0.119573D+01 -0.291960D+01 -0.131951D+02
      5   0.529396D+00  0.414273D+01 -0.121821D+01 -0.434172D+01  0.383018D+01
      6   0.500436D+01 -0.387676D+01  0.170203D+02  0.532404D+01  0.180924D+01
                56            57            58            59            60 
      1   0.348745D+02  0.792569D+01 -0.395302D+01  0.169436D+02  0.672471D+01
      2  -0.290029D+02 -0.282547D+01  0.626961D+01 -0.191978D+02 -0.691126D+01
      3  -0.587161D+01 -0.510022D+01 -0.231658D+01  0.225423D+01  0.186549D+00
      4  -0.530884D+02 -0.845923D+01  0.134970D+02  0.913848D+01 -0.636407D+00
      5  -0.459544D+01 -0.889758D+01  0.453260D+01 -0.731539D+00  0.474485D+01
      6  -0.576270D+01 -0.116386D+02  0.343297D+01 -0.806176D+01  0.627891D+01
                61            62            63            64            65 
      1  -0.201164D+00  0.110759D+02 -0.252239D+02  0.291386D+01  0.395308D+00
      2   0.977951D+00 -0.159364D+02  0.110000D+02  0.132083D+01 -0.247786D+01
      3  -0.776787D+00  0.486045D+01  0.142240D+02 -0.423470D+01  0.208255D+01
      4   0.269125D+00 -0.115286D+02  0.719433D+01 -0.986714D+01  0.972417D+01
      5  -0.642814D+00  0.117795D+02 -0.735603D+00  0.281981D+01 -0.915688D+00
      6  -0.417615D+01  0.203114D+02  0.879173D+00 -0.166842D+01  0.147992D+01
                66            67            68            69            70 
      1   0.986612D+00  0.343955D+01 -0.197907D+02 -0.927546D+00  0.334511D+01
      2  -0.464538D+00 -0.801804D+01  0.266667D+02  0.783871D+00 -0.255949D+01
      3  -0.522075D+00  0.457849D+01 -0.687596D+01  0.143675D+00 -0.785618D+00
      4  -0.203335D+00  0.142404D+02 -0.193049D+02 -0.656472D+00  0.580153D+00
      5   0.106403D+01 -0.681330D+00 -0.614127D+00 -0.267963D+01  0.403030D+00
      6  -0.935303D+00  0.165168D+01 -0.225235D+01  0.498130D+01 -0.198166D+01
                71            72            73            74            75 
      1  -0.312251D+01 -0.282090D+01  0.111037D+01 -0.574777D+01 -0.236912D+01
      2   0.316707D+01  0.280946D+01  0.486383D+01  0.108381D+02  0.161426D+01
      3  -0.445623D-01  0.114482D-01 -0.597420D+01 -0.509035D+01  0.754858D+00
      4  -0.215302D+01 -0.118761D+01  0.215903D+02  0.206834D+02  0.564218D+01
      5  -0.347639D+00 -0.354764D+00  0.834192D+01  0.590936D+01  0.542979D+01
      6   0.204498D+01  0.108910D+01  0.733081D+01  0.767942D+01  0.508759D+01
                76            77            78            79            80 
      1  -0.914049D+01 -0.206697D+02 -0.662771D+01 -0.617984D+00 -0.430852D+01
      2   0.152884D+02  0.293357D+02  0.538103D+01  0.365666D+01  0.527666D+01
      3  -0.614789D+01 -0.866602D+01  0.124667D+01 -0.303867D+01 -0.968149D+00
      4   0.232409D+02  0.287942D+02  0.693183D+01  0.719054D+01  0.692002D+01
      5   0.660617D+01  0.720164D+01  0.535880D+01  0.237479D+01  0.359744D+01
      6   0.981827D+01  0.142248D+02  0.922601D+01  0.161553D+01  0.560814D+01
                81            82            83            84            85 
      1  -0.214967D+01 -0.483292D+01  0.100614D+02  0.114117D+01  0.828132D+01
      2   0.225877D+01  0.780760D+01 -0.146360D+02 -0.108657D+01 -0.103731D+02
      3  -0.109099D+00 -0.297468D+01  0.457458D+01 -0.546011D-01  0.209174D+01
      4   0.438904D+01 -0.761382D+01  0.148252D+02  0.211285D+01  0.993006D+01
      5   0.246479D+01 -0.259002D+01  0.366281D+01  0.275234D+01  0.265707D+01
      6   0.351107D+01  0.253633D+01 -0.354300D+01 -0.279819D+01 -0.358822D+01
                86            87            88            89            90 
      1  -0.444462D+02 -0.778307D+01  0.946673D+00 -0.633133D+01 -0.258663D+01
      2   0.578648D+02  0.689092D+01 -0.153069D+01  0.732760D+01  0.244661D+01
      3  -0.134186D+02  0.892149D+00  0.584013D+00 -0.996277D+00  0.140019D+00
      4  -0.201380D+02 -0.311788D+01  0.161255D+01 -0.995290D+00 -0.224982D+01
      5  -0.630901D+01 -0.277254D+01  0.155559D+01 -0.250909D+01 -0.782207D+00
      6   0.154735D+02  0.991681D+01 -0.210773D+00  0.535091D+01  0.229511D+01
                91            92            93            94            95 
      1  -0.393062D+02 -0.174795D+02  0.125062D+02 -0.872091D+01 -0.343093D+01
      2   0.319400D+02  0.150411D+02 -0.628550D+01  0.103095D+02  0.325901D+01
      3   0.736623D+01  0.243844D+01 -0.622068D+01 -0.158857D+01  0.171923D+00
      4  -0.205917D+02 -0.136696D+02  0.222143D+01 -0.234387D+02  0.913923D+01
      5   0.140871D+02  0.156528D+01 -0.212370D+02 -0.344057D+01 -0.240510D+02
      6   0.226503D+01 -0.530278D+01  0.610957D-01 -0.619061D+01  0.143915D+01
                96            97            98            99           100 
      1  -0.355512D+01  0.304695D+02  0.586265D+01 -0.174185D+02 -0.626217D+02
      2   0.655102D+01 -0.220702D+02  0.424866D+00  0.117175D+02  0.367461D+02
      3  -0.299590D+01 -0.839930D+01 -0.628752D+01  0.570103D+01  0.258756D+02
      4  -0.245568D+02  0.623410D+01 -0.200545D+02 -0.153180D+02  0.200086D+02
      5  -0.574997D+01 -0.383420D+02 -0.155020D+02 -0.397995D+01 -0.296768D+02
      6  -0.913129D+01 -0.854934D+01 -0.226224D+01 -0.752453D+01  0.381442D+01
               101           102           103           104           105 
      1   0.203833D+02 -0.278996D+02 -0.174229D+01  0.983792D+01 -0.313373D+01
      2  -0.145707D+02  0.872143D+01 -0.311641D+01 -0.680590D+01 -0.144071D+02
      3  -0.581268D+01  0.191782D+02  0.485869D+01 -0.303202D+01  0.175408D+02
      4   0.165393D+02 -0.388717D+01  0.187209D+02 -0.117421D+02  0.247653D+02
      5  -0.497680D+01  0.200992D+02 -0.693608D+01  0.251588D+02  0.106535D+02
      6   0.604548D+01 -0.120896D+02  0.822051D+01 -0.102974D+02 -0.437192D+01
               106           107           108           109           110 
      1  -0.203721D+02 -0.720305D+01  0.345546D+02 -0.905718D+02 -0.181574D+02
      2   0.101027D+02 -0.110328D+02 -0.160392D+02  0.333807D+02  0.247594D-01
      3   0.102694D+02  0.182358D+02 -0.185154D+02  0.571911D+02  0.181326D+02
      4  -0.540147D+01  0.161708D+02  0.154340D+02 -0.349135D+02 -0.262616D+02
      5   0.118143D+02  0.193160D+02 -0.121031D+02  0.154096D+02  0.779903D+01
      6  -0.601397D+01 -0.947587D+01  0.147712D+02  0.190494D+01  0.201594D+01
               111           112           113           114           115 
      1   0.974869D+01 -0.215520D+02 -0.978801D+01  0.424462D+01 -0.476968D+02
      2  -0.191526D+01  0.492102D+01  0.576797D+01 -0.755094D+00  0.360297D+02
      3  -0.783343D+01  0.166310D+02  0.402005D+01 -0.348953D+01  0.116671D+02
      4   0.577009D+01  0.635828D+01 -0.125623D+02  0.336724D+01 -0.727016D+01
      5  -0.127045D+02  0.491517D+01  0.413530D+01 -0.372513D+01  0.401561D+02
      6  -0.356117D+01  0.419821D+01  0.464256D+00  0.350628D+01  0.119510D+02
               116           117           118           119           120 
      1  -0.431295D+01  0.326934D+02  0.119309D+02  0.783536D+01  0.563096D+01
      2   0.529968D+01 -0.105857D+02 -0.913395D+01 -0.561356D+01 -0.510069D+01
      3  -0.986734D+00 -0.221078D+02 -0.279692D+01 -0.222179D+01 -0.530274D+00
      4  -0.208668D+00  0.854750D+01  0.141413D+02  0.121345D+02  0.477606D+01
      5   0.801429D+01 -0.154962D+01  0.145715D+02  0.561000D+01  0.163380D+02
      6  -0.171367D+01  0.623897D+00  0.545848D+01  0.291668D+01  0.312951D+01
               121           122           123           124           125 
      1   0.177801D+02  0.447085D+00 -0.733688D+00  0.818818D+01 -0.147928D+01
      2  -0.116145D+02 -0.157329D-01 -0.246008D+01 -0.847214D+01 -0.312662D+01
      3  -0.616557D+01 -0.431352D+00  0.319377D+01  0.283965D+00  0.460590D+01
      4   0.161941D+02  0.192529D+02  0.156643D+02  0.635238D+01  0.165991D+02
      5   0.121090D+02  0.158646D+02  0.154635D+02  0.225252D+02  0.134087D+02
      6   0.481033D+01  0.971643D+01  0.100187D+02  0.540728D+01  0.870040D+01
               126           127           128           129           130 
      1  -0.830633D+00 -0.527363D+01 -0.100975D+02  0.195882D+02 -0.156583D+01
      2  -0.982987D+01  0.423079D+00  0.599763D+01 -0.415380D+01  0.362902D+00
      3   0.106605D+02  0.485055D+01  0.409991D+01 -0.154344D+02  0.120293D+01
      4   0.135597D+02  0.684511D+00 -0.651881D+01  0.297985D+01  0.179358D+01
      5   0.287823D+02  0.382739D+01  0.491447D+01 -0.102070D+02 -0.106824D+01
      6   0.963286D+01 -0.295672D+01 -0.661914D+01  0.105625D+02 -0.110604D+01
               131           132           133           134           135 
      1  -0.115369D+02  0.108658D+02  0.127093D+02  0.138820D+02 -0.357727D+02
      2   0.740261D+01 -0.380544D+01 -0.552959D+01 -0.410417D+01 -0.113546D+01
      3   0.413431D+01 -0.706033D+01 -0.717972D+01 -0.977785D+01  0.369081D+02
      4  -0.773694D+01  0.574639D+01 -0.736163D+01  0.128773D+02 -0.149391D+02
      5   0.571757D+01 -0.102076D+02  0.649821D+01 -0.176284D+02  0.403783D+02
      6  -0.888977D+01  0.134948D+02 -0.193283D+00  0.166075D+02 -0.278559D+02
               136           137           138           139           140 
      1   0.240666D+01 -0.715923D+01 -0.678955D+00 -0.758236D+01 -0.129108D+02
      2   0.639820D+00  0.598186D+01  0.184018D+01  0.169104D+01  0.264699D+02
      3  -0.304648D+01  0.117737D+01 -0.116123D+01  0.589132D+01 -0.135591D+02
      4  -0.313486D+01 -0.235315D+01  0.148975D+01  0.101392D+02 -0.293677D+02
      5  -0.156498D+01  0.976574D-01 -0.341360D+01 -0.627563D+00 -0.119756D+02
      6   0.154603D+01 -0.711446D+00  0.262351D+01 -0.284679D+00  0.352307D+01
               141           142           143           144           145 
      1  -0.384457D+01 -0.686112D+01 -0.429837D+01 -0.833483D+01  0.102850D+03
      2   0.114321D+02  0.191541D+01  0.145368D+02  0.947025D+01 -0.546719D+02
      3  -0.758750D+01  0.494571D+01 -0.102385D+02 -0.113542D+01 -0.481786D+02
      4  -0.107826D+02  0.103847D+02 -0.227602D+02 -0.103733D+02 -0.446774D+02
      5  -0.130961D+02 -0.218012D+00 -0.115608D+02 -0.146960D+02  0.399985D+02
      6   0.806627D+01  0.269798D+00  0.617531D+01  0.686312D+01 -0.897931D+01
               146           147           148           149           150 
      1  -0.156295D+02  0.156889D+02 -0.376895D+01  0.685661D+01  0.243108D+00
      2   0.469175D+01 -0.113523D+02 -0.109703D+01 -0.175949D+01  0.283386D+00
      3   0.109378D+02 -0.433659D+01  0.486597D+01 -0.509712D+01 -0.526495D+00
      4   0.216453D+02 -0.919859D+01  0.123913D+02 -0.457074D+01  0.251650D-01
      5  -0.853419D+01  0.208841D+02  0.509433D-01  0.136292D+01 -0.386340D+00
      6   0.498248D+01 -0.542939D+01  0.294943D+01 -0.265658D+00  0.208089D+01
               151           152           153           154           155 
      1   0.114759D+02 -0.614328D+00  0.628234D+01  0.195311D+03  0.331745D+02
      2  -0.888842D+01  0.196661D+01 -0.578056D+01 -0.889445D+02 -0.928482D+01
      3  -0.258747D+01 -0.135228D+01 -0.501775D+00 -0.106366D+03 -0.238897D+02
      4  -0.400888D+01  0.495463D+00 -0.538594D+01  0.536653D+02  0.474864D+02
      5   0.173540D+02 -0.469588D+01  0.101191D+02 -0.350311D+02 -0.997408D+01
      6  -0.355426D+01  0.295591D+01 -0.314372D+01 -0.145423D+01 -0.392297D+01
               156           157           158           159           160 
      1  -0.920665D+01  0.299959D+02  0.352387D+02  0.674299D-01 -0.932269D+01
      2   0.944617D+01 -0.524788D+01 -0.837707D+01  0.407303D+00  0.911585D+01
      3  -0.239521D+00 -0.247480D+02 -0.268617D+02 -0.474732D+00  0.206839D+00
      4  -0.728339D+01  0.559385D+02  0.382033D+02 -0.496313D+01 -0.569643D+01
      5   0.429169D+02 -0.527286D+01 -0.879936D+01  0.987997D+01  0.363131D+02
      6   0.402032D+01 -0.891812D+01 -0.490943D+01  0.645965D+01  0.436924D+01
               161           162           163           164           165 
      1  -0.141513D+01  0.200416D+02  0.637531D+02  0.114593D+02 -0.205753D+02
      2   0.145061D+01 -0.136201D+02 -0.423937D+02 -0.499941D+01  0.125290D+02
      3  -0.354768D-01 -0.642151D+01 -0.213594D+02 -0.645987D+01  0.804626D+01
      4  -0.213852D+01  0.859516D+01  0.187881D+02  0.865001D+01 -0.146777D+01
      5   0.872694D+01 -0.916426D+01 -0.375142D+02 -0.165572D+01  0.214287D+02
      6   0.519973D+01 -0.223803D+01 -0.657169D+01 -0.882835D+00  0.121759D+01
               166           167           168           169           170 
      1   0.186659D+02 -0.968775D+01  0.120812D+01  0.948864D+01  0.469300D+01
      2  -0.105673D+02  0.282820D+01 -0.131542D+01 -0.258298D+01 -0.284674D+01
      3  -0.809864D+01  0.685956D+01  0.107303D+00 -0.690566D+01 -0.184626D+01
      4   0.576404D+01 -0.143266D+01 -0.104053D+02  0.422437D+01 -0.460580D+01
      5  -0.670528D+01 -0.980098D+01  0.134527D+01  0.932686D+01 -0.341033D+00
      6  -0.294204D+01 -0.209548D+01  0.119065D+02 -0.225283D+01  0.106805D+02
               171           172           173           174           175 
      1  -0.373860D+02 -0.564814D+02 -0.533469D+01 -0.275389D+01 -0.141804D+02
      2  -0.100501D+02  0.349119D+02  0.312933D+01 -0.789430D+01  0.996896D+01
      3   0.474361D+02  0.215695D+02  0.220536D+01  0.106482D+02  0.421147D+01
      4  -0.271337D+01 -0.126548D+02 -0.551012D+01  0.127956D+01 -0.184697D+01
      5  -0.385966D+02  0.286248D+02  0.184300D+01 -0.192090D+02  0.672228D+01
      6  -0.203204D+01  0.534936D+01  0.365953D+01 -0.164923D+01  0.148628D+01
               176           177           178           179           180 
      1  -0.489011D+01 -0.144511D+00  0.171650D+02  0.214537D+01 -0.102622D+02
      2   0.286425D+01 -0.266550D+01 -0.157585D+02 -0.179892D+01  0.572641D+01
      3   0.202585D+01  0.281001D+01 -0.140658D+01 -0.346450D+00  0.453579D+01
      4  -0.913008D+00 -0.256804D+01  0.617321D+01  0.103186D+01 -0.203566D+01
      5  -0.216425D+01 -0.542860D+01 -0.146727D+02 -0.104404D+01  0.502627D+01
      6   0.124155D+01  0.255744D+01 -0.224877D+01  0.569350D+00  0.156619D+01
               181           182           183           184           185 
      1   0.314930D+02 -0.496563D+02 -0.642067D+01  0.367142D+02  0.158049D+02
      2  -0.152903D+02  0.400665D+02  0.198798D+01 -0.271282D+02 -0.176838D+02
      3  -0.162026D+02  0.958982D+01  0.443269D+01 -0.958604D+01  0.187884D+01
      4  -0.551926D+01  0.372779D+02 -0.154804D+01  0.490167D+01 -0.286112D+02
      5  -0.765474D+01 -0.343668D+01  0.113691D+02 -0.326634D+01 -0.115493D+02
      6  -0.685067D+01 -0.533471D+00  0.104543D+02 -0.716861D+01 -0.913893D+01
               186           187           188           189           190 
      1   0.418634D+01  0.474682D+01 -0.722151D+01 -0.453270D+00  0.104020D+03
      2  -0.522039D+01 -0.126106D+02 -0.150546D+01 -0.719584D+01 -0.559225D+02
      3   0.103405D+01  0.786375D+01  0.872697D+01  0.764911D+01 -0.480978D+02
      4  -0.103593D+02 -0.114479D+02 -0.104050D+02  0.208603D+02  0.198888D+01
      5   0.593908D+01  0.296482D+02  0.180483D+02  0.113719D+02 -0.168372D+01
      6   0.139896D+01  0.204031D+02  0.142140D+02  0.599021D+01 -0.264743D+01
               191           192           193           194           195 
      1   0.743103D+01  0.781381D+01  0.691066D+02 -0.364849D+02 -0.380744D+01
      2   0.511594D+01 -0.133126D+01 -0.293188D+02  0.390078D+02  0.985108D+01
      3  -0.125470D+02 -0.648256D+01 -0.397878D+02 -0.252285D+01 -0.604364D+01
      4   0.136801D+02  0.121743D+01 -0.395377D+02  0.548481D+02  0.446913D+01
      5   0.217843D+01  0.520550D+01 -0.965889D+01  0.842111D+01  0.282376D+01
      6   0.556059D-01  0.356268D+01 -0.324477D+01  0.821090D+01 -0.516160D+01
               196           197           198           199           200 
      1   0.131342D+02 -0.108457D+02  0.216399D+02 -0.112689D+03  0.176940D+02
      2  -0.752037D+01  0.984202D+01 -0.188792D+02  0.473547D+02 -0.177710D+02
      3  -0.561387D+01  0.100371D+01 -0.276075D+01  0.653347D+02  0.769668D-01
      4  -0.159394D+02  0.909729D+01  0.283641D+01  0.255927D+02 -0.254315D+02
      5   0.463400D+02  0.837741D+01  0.781463D+01 -0.728511D+01 -0.246435D+01
      6   0.146774D+01  0.652140D+01 -0.292871D+01  0.219697D+01 -0.373573D+01
               201           202           203           204           205 
      1  -0.647536D+01 -0.940800D+02  0.114447D+02 -0.287327D+01 -0.294662D+02
      2   0.206895D+01  0.574076D+02 -0.191345D+02 -0.781319D+00  0.175357D+02
      3   0.440641D+01  0.366725D+02  0.768984D+01  0.365459D+01  0.119306D+02
      4  -0.430279D+00  0.222493D+02 -0.175143D+02  0.396331D+01  0.893053D+01
      5   0.707389D+01 -0.258958D+01  0.231127D+01 -0.109551D+02  0.427484D+01
      6  -0.135709D+01  0.616760D+01 -0.730087D+01  0.722891D+01 -0.145622D+01
               206           207           208           209           210 
      1   0.104419D+02 -0.146544D+02  0.412577D+02  0.582217D+01  0.142148D+01
      2  -0.100075D+02 -0.336432D+01 -0.240000D+02 -0.536510D+01 -0.287315D+01
      3  -0.434427D+00  0.180187D+02 -0.172577D+02 -0.457073D+00  0.145167D+01
      4  -0.883981D-01 -0.167897D+02  0.125743D+02  0.115073D+02 -0.746471D+00
      5  -0.210410D+02 -0.119472D+02  0.781961D+01 -0.138426D+01  0.219607D+02
      6   0.830489D+01 -0.103074D+01  0.461631D+00  0.219869D+01 -0.362668D+01
               211           212           213           214           215 
      1   0.480328D+01  0.872343D+01  0.410975D+01  0.198558D+01  0.223604D+00
      2  -0.296858D+01 -0.321710D+01 -0.520590D+01 -0.341069D+01 -0.215959D+01
      3  -0.183471D+01 -0.550633D+01  0.109616D+01  0.142511D+01  0.193599D+01
      4   0.391861D+02  0.142284D+02  0.676013D+01  0.503390D+01  0.157642D+01
      5   0.670399D+01  0.462210D+01 -0.142993D+02  0.161554D+02  0.469185D+01
      6   0.112146D+01 -0.185821D+01  0.117726D+02  0.125549D+01  0.420435D+01
               216           217           218           219           220 
      1   0.648193D+01 -0.835157D+02 -0.690456D+01 -0.167388D+02 -0.116742D+02
      2  -0.451784D+01  0.481200D+02  0.623726D+00  0.101331D+02  0.342037D+01
      3  -0.196409D+01  0.353957D+02  0.628084D+01  0.660573D+01  0.825383D+01
      4   0.583605D+01 -0.121322D+02  0.255470D+02 -0.402262D+01 -0.113613D+02
      5   0.427516D+01 -0.159244D+02 -0.437612D+01  0.101385D+02 -0.972903D+01
      6   0.301301D+01  0.778000D+00  0.330316D+01 -0.393027D+01 -0.580965D+00
               221           222           223           224           225 
      1   0.145923D+02 -0.157480D+02 -0.121877D+02 -0.107930D+02  0.115464D+02
      2  -0.889248D+01  0.123358D+02  0.353896D+01  0.923052D+01 -0.982266D+01
      3  -0.569978D+01  0.341221D+01  0.864875D+01  0.156251D+01 -0.172378D+01
      4   0.758023D+01 -0.163045D+02 -0.829121D+01 -0.883824D+01  0.389208D+02
      5  -0.158376D+02  0.630487D+02 -0.173757D+02  0.396755D+02  0.305022D+02
      6   0.799293D+01 -0.230562D+02  0.112941D+02 -0.161128D+02 -0.581252D+01
               226           227           228           229           230 
      1  -0.760236D+01  0.173851D+02  0.157828D+01  0.848877D+01 -0.522303D+02
      2   0.881716D+01 -0.194829D+02 -0.147937D+01 -0.906318D+01  0.656823D+02
      3  -0.121480D+01  0.209775D+01 -0.989096D-01  0.574413D+00 -0.134520D+02
      4  -0.232939D+01  0.476273D+01  0.734628D+00  0.311647D+01  0.127595D+02
      5  -0.789674D+00  0.134926D+01  0.111209D+01  0.290465D+00 -0.774077D+00
      6   0.772681D+00 -0.124369D+01 -0.268364D+01 -0.151620D+01  0.780610D+01
               231           232           233           234           235 
      1  -0.741912D+01  0.210927D+00 -0.678213D+01 -0.186953D+01  0.254091D+02
      2   0.707230D+01 -0.799696D+00  0.802084D+01  0.235135D+01 -0.332017D+01
      3   0.346814D+00  0.588769D+00 -0.123871D+01 -0.481824D+00 -0.220889D+02
      4   0.139026D+01 -0.658674D-01  0.264378D+01 -0.645131D+00  0.442440D+02
      5   0.157277D+01  0.222586D+01 -0.315247D+00  0.361434D+00  0.103408D+02
      6   0.877399D+01  0.415287D+00  0.414633D+01  0.187416D+01  0.631208D+01
               236           237           238           239           240 
      1   0.132363D+02  0.409675D+01  0.120204D+02  0.186834D+01  0.628875D+00
      2   0.401502D+01 -0.982418D+00  0.908787D+01  0.214548D+02  0.263418D+01
      3  -0.172513D+02 -0.311433D+01 -0.211082D+02 -0.233232D+02 -0.326306D+01
      4   0.391603D+02  0.982582D+01  0.454339D+02  0.556851D+02  0.122286D+02
      5   0.757124D+01  0.845823D+01  0.941630D+01  0.938613D+01  0.901996D+01
      6   0.551866D+01  0.521926D+01  0.774221D+01  0.964752D+01  0.821245D+01
               241           242           243           244           245 
      1   0.543358D+01  0.171911D+01 -0.482951D+00  0.122100D+02 -0.104471D+02
      2   0.129988D+01  0.330804D+01  0.170926D+01 -0.387804D+01  0.293659D+01
      3  -0.673346D+01 -0.502715D+01 -0.122631D+01 -0.833198D+01  0.751053D+01
      4   0.134103D+02  0.135128D+02  0.629509D+01 -0.180071D+02  0.148039D+02
      5   0.232088D+01  0.453009D+01  0.359503D+01 -0.200051D+01  0.114217D+01
      6   0.946630D+00  0.448243D+01  0.294903D+01  0.370606D+00  0.530802D-01
               246           247           248           249           250 
      1  -0.605557D+00 -0.133039D+02 -0.381959D+01 -0.121221D+01 -0.990113D+00
      2   0.164171D+00  0.391192D+00  0.160936D+02  0.814676D+00  0.387384D-01
      3   0.441386D+00  0.129127D+02 -0.122740D+02  0.397533D+00  0.951374D+00
      4   0.543809D+00  0.261968D+02 -0.391435D+02 -0.411455D+01  0.254665D+01
      5   0.159007D+01  0.357050D+01 -0.660634D+01 -0.552558D+01  0.945487D+00
      6  -0.691682D+00 -0.143467D+01  0.316845D+01  0.486348D+01 -0.193575D+01
               251           252           253           254           255 
      1  -0.191493D+01 -0.164927D+01  0.203792D+03 -0.448479D+01  0.174701D+02
      2   0.251545D+01  0.202814D+01 -0.106992D+03  0.290636D+00 -0.102220D+02
      3  -0.600522D+00 -0.378867D+00 -0.968005D+02  0.419416D+01 -0.724810D+01
      4  -0.547730D+01 -0.752808D+00 -0.219299D+02  0.161642D+02 -0.203698D+01
      5  -0.108772D+00 -0.605845D+00  0.199058D+02 -0.656369D+00  0.200435D+02
      6   0.162148D+01  0.120446D+01 -0.336935D+01  0.763862D+00 -0.262546D+01
               256           257           258           259           260 
      1   0.225031D+02  0.142436D+02  0.267087D+01  0.230031D+02  0.441127D+00
      2  -0.141429D+02 -0.701152D+01 -0.205842D+01 -0.135389D+02 -0.908345D+00
      3  -0.836021D+01 -0.723209D+01 -0.612450D+00 -0.946414D+01  0.467218D+00
      4   0.161842D+02  0.348249D+01  0.310257D+01 -0.275353D+01  0.381001D+01
      5   0.180541D+01  0.331925D+01  0.910742D+00  0.236696D+02 -0.362932D+01
      6   0.490658D+00 -0.454209D+00  0.159210D+01 -0.248671D+01  0.261337D+01
               261           262           263           264           265 
      1   0.156403D+02  0.644518D+01 -0.176184D+01 -0.830405D+01 -0.692888D+01
      2  -0.938169D+01 -0.361474D+01  0.145428D+01  0.310778D+01  0.161856D+01
      3  -0.625866D+01 -0.283044D+01  0.307560D+00  0.519627D+01  0.531032D+01
      4  -0.457903D+01  0.100164D+01 -0.164044D+01  0.367463D+01  0.190283D+02
      5   0.511817D+01 -0.776506D+01  0.260494D+01 -0.297180D+01  0.137360D+02
      6  -0.509757D+00  0.216917D+01 -0.564021D+00  0.228699D+01 -0.470555D+01
               266           267           268           269           270 
      1   0.242392D+01  0.394358D+01 -0.360989D+02  0.939333D+01  0.393367D+01
      2   0.254940D+01  0.378748D+00  0.206875D+02 -0.296445D+01 -0.819408D+01
      3  -0.497332D+01 -0.432233D+01  0.154114D+02 -0.642888D+01  0.426041D+01
      4  -0.199092D+02 -0.154350D+02  0.271637D+02 -0.222663D+02 -0.252649D+02
      5  -0.157269D+02 -0.246477D+02  0.368042D+02 -0.257950D+02 -0.637813D+02
      6   0.633044D+01  0.110350D+02 -0.111985D+02  0.112948D+02  0.172127D+02
               271           272           273           274           275 
      1  -0.544343D+01 -0.450343D+01  0.111360D+02 -0.117052D+02 -0.525148D+01
      2   0.245217D+01  0.430644D+01 -0.545548D+01  0.270396D+01  0.132174D+02
      3   0.299126D+01  0.196997D+00 -0.568051D+01  0.900120D+01 -0.796588D+01
      4   0.504119D+01 -0.786490D+01  0.383251D+01  0.251835D+02 -0.408507D+02
      5   0.478962D+01  0.455036D+01 -0.102723D+02 -0.111691D+02  0.249556D+02
      6  -0.664550D+00 -0.380857D+01  0.570394D+01  0.673195D+01 -0.148049D+02
               276           277           278           279 
      1   0.651067D+01  0.222855D+02  0.249384D+01 -0.793794D+01
      2  -0.764390D+01 -0.986921D+01 -0.476315D+01  0.155108D+01
      3   0.113323D+01 -0.124163D+02  0.226931D+01  0.638687D+01
      4   0.261796D+02 -0.186224D+02  0.269803D+02 -0.270084D+02
      5  -0.292431D+02  0.198607D+02 -0.268030D+02  0.333357D+02
      6   0.146877D+02 -0.905685D+01  0.145436D+02 -0.153448D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.227875D+01      0.579200D+01      0.193200D+02
   x          0.214228D+01      0.544512D+01      0.181630D+02
   y          0.125065D+00      0.317884D+00      0.106035D+01
   z         -0.766618D+00     -0.194855D+01     -0.649966D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.182326D+03      0.270180D+02      0.300616D+02
   aniso      0.147518D+03      0.218599D+02      0.243225D+02
   xx         0.274092D+03      0.406162D+02      0.451916D+02
   yx         0.613465D+01      0.909062D+00      0.101147D+01
   yy         0.161835D+03      0.239815D+02      0.266830D+02
   zx         0.139700D+02      0.207014D+01      0.230334D+01
   zy         0.779260D+01      0.115474D+01      0.128483D+01
   zz         0.111053D+03      0.164563D+02      0.183101D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.204375D+03      0.302852D+02      0.336968D+02
   aniso      0.169293D+03      0.250867D+02      0.279127D+02
   xx         0.310304D+03      0.459822D+02      0.511621D+02
   yx         0.801297D+01      0.118740D+01      0.132116D+01
   yy         0.178922D+03      0.265136D+02      0.295003D+02
   zx         0.156234D+02      0.231515D+01      0.257595D+01
   zy         0.851365D+01      0.126159D+01      0.140371D+01
   zz         0.123898D+03      0.183598D+02      0.204280D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.12685746         -1.31864198          1.24471617
     6          0.28961202          1.18640270          2.20845754
     6         -1.03045716         -1.73988336         -1.12581829
     6         -2.01048435          0.21538267         -2.53535818
     6         -1.83584601          2.70109470         -1.55441997
     6         -0.73006870          3.17223862          0.73533207
     6          1.13518463         -3.31629389          2.71589218
     1         -1.14868957         -3.66645946         -1.80418757
     1         -2.59941070          4.25103246         -2.65278720
     1         -0.62565157          5.08788170          1.44896937
     6         -3.16271156         -0.15736282         -5.12498158
     6         -4.31525535         -2.77973976         -5.58603279
     6         -1.29571400          0.38002939         -7.28501530
     1         -4.65695844          1.24137457         -5.37682931
     1         -5.70687771         -3.21333965         -4.13034074
     1         -2.88109261         -4.26021749         -5.57352635
     1         -5.23822744         -2.81484303         -7.42436782
     8         -1.96739865          0.97098024         -9.36568904
     8          1.17929421          0.05245810         -6.75797406
     1          1.38111168         -0.30869714         -4.97097078
     6          2.24205273         -2.86040468          4.99913785
     6          2.40344850         -0.36307919          5.95212358
     6          1.44314596          1.62490745          4.58176569
     8          3.54546113         -0.15948329          8.23878017
     6          3.78285036          2.28111217          9.32026527
     1          1.01785064         -5.23028163          2.00022694
     1          3.01765608         -4.37383521          6.13294247
     1          1.54494658          3.54218531          5.27438836
     1          4.73840661          2.01479593         11.11879294
     1          1.93044529          3.13882722          9.64364443
     1          4.91195261          3.52534945          8.11673721

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.227875D+01      0.579200D+01      0.193200D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.227875D+01      0.579200D+01      0.193200D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.182326D+03      0.270180D+02      0.300616D+02
   aniso      0.147518D+03      0.218599D+02      0.243225D+02
   xx         0.137999D+03      0.204493D+02      0.227529D+02
   yx        -0.503962D+01     -0.746794D+00     -0.830920D+00
   yy         0.162171D+03      0.240313D+02      0.267384D+02
   zx         0.629524D+02      0.932859D+01      0.103795D+02
   zy        -0.914512D+00     -0.135517D+00     -0.150783D+00
   zz         0.246810D+03      0.365734D+02      0.406934D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.204375D+03      0.302852D+02      0.336968D+02
   aniso      0.169293D+03      0.250867D+02      0.279127D+02
   xx         0.154482D+03      0.228918D+02      0.254706D+02
   yx        -0.585371D+01     -0.867430D+00     -0.965146D+00
   yy         0.179201D+03      0.265549D+02      0.295463D+02
   zx         0.716694D+02      0.106203D+02      0.118167D+02
   zy        -0.192350D+01     -0.285033D+00     -0.317142D+00
   zz         0.279441D+03      0.414088D+02      0.460735D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-U22-16\Freq\RLC-PBEPBE\Gen\C14H14O3\PIERPA\17-Aug-2021\0\
 \#P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight)
  Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=02300000
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 "WOULD YOU TELL ME PLEASE, WHICH WAY I OUGHT TO WALK FROM HERE?"
 "THAT DEPENDS A GREAT DEAL ON WHERE YOU WANT TO GO," SAID THE CAT.
 "I DON'T MUCH CARE WHERE -- ", SAID ALICE.
 "THEN IT DOESN'T MATTER WHICH WAY YOU WALK," SAID THE CAT.

                                      -- LEWIS CARROLL
 Job cpu time:       0 days 20 hours 10 minutes  9.8 seconds.
 Elapsed time:       0 days  2 hours 31 minutes 44.7 seconds.
 File lengths (MBytes):  RWF=    749 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Tue Aug 17 00:00:27 2021.
